N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide

C18H27N5O2 — CID 124818969

IUPACN-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide
SMILESCN(C)c1cc(N2C[C@H]3[C@@H](CNC(=O)CC4CC4)CO[C@H]3C2)ncn1
InChIInChI=1S/C18H27N5O2/c1-22(2)16-6-17(21-11-20-16)23-8-14-13(10-25-15(14)9-23)7-19-18(24)5-12-3-4-12/h6,11-15H,3-5,7-10H2,1-2H3,(H,19,24)/t13-,14-,15-/m0/s1
InChIKeySETRBIYZTBFPDA-KKUMJFAQSA-N
MW345.45 g/mol
LogP0.91
Rot. Bonds6

About N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide

N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide (PubChem CID 124818969) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide
PubChem CID124818969
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide
SMILESCN(C)c1cc(N2C[C@H]3[C@@H](CNC(=O)CC4CC4)CO[C@H]3C2)ncn1
InChIInChI=1S/C18H27N5O2/c1-22(2)16-6-17(21-11-20-16)23-8-14-13(10-25-15(14)9-23)7-19-18(24)5-12-3-4-12/h6,11-15H,3-5,7-10H2,1-2H3,(H,19,24)/t13-,14-,15-/m0/s1
InChIKeySETRBIYZTBFPDA-KKUMJFAQSA-N
XLogP0.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide with MolForge

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Related Compounds

N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155839361
N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 110111092
(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 124989326
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 127022239
2-[(3R,3aS,6aS)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-1-(oxazinan-2-yl)ethanone
CID 97486196
2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 131655126
2-[(3S,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485930
N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 95107896
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide
CID 95107873
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
CID 95107912
(2S,3aR,6aR)-N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 98777397

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide (CID 124818969) is N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide is CN(C)c1cc(N2C[C@H]3[C@@H](CNC(=O)CC4CC4)CO[C@H]3C2)ncn1.
What is the InChIKey of N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide?
The InChIKey is SETRBIYZTBFPDA-KKUMJFAQSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-22(2)16-6-17(21-11-20-16)23-8-14-13(10-25-15(14)9-23)7-19-18(24)5-12-3-4-12/h6,11-15H,3-5,7-10H2,1-2H3,(H,19,24)/t13-,14-,15-/m0/s1.
What are the key properties of N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide?
N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide has a molecular weight of 345.45 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 124818969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).