(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C14H23N5O — CID 167849942

IUPAC(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCN(C)c1ncc(CN2CCN3C[C@H](O)C[C@H]3C2)cn1
InChIInChI=1S/C14H23N5O/c1-17(2)14-15-6-11(7-16-14)8-18-3-4-19-10-13(20)5-12(19)9-18/h6-7,12-13,20H,3-5,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyWFFTUFFRJRBXGX-QWHCGFSZSA-N
MW277.37 g/mol
LogP-0.21
Rot. Bonds3

About (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 167849942) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID167849942
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCN(C)c1ncc(CN2CCN3C[C@H](O)C[C@H]3C2)cn1
InChIInChI=1S/C14H23N5O/c1-17(2)14-15-6-11(7-16-14)8-18-3-4-19-10-13(20)5-12(19)9-18/h6-7,12-13,20H,3-5,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyWFFTUFFRJRBXGX-QWHCGFSZSA-N
XLogP-0.21
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Related Compounds

N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
CID 126891791
N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77087221
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
2-[[5-[[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]-methylamino]acetic acid
CID 139599486
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633027
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
CID 62757845
3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219623
(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 99937329

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 167849942) is (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is CN(C)c1ncc(CN2CCN3C[C@H](O)C[C@H]3C2)cn1.
What is the InChIKey of (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is WFFTUFFRJRBXGX-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17(2)14-15-6-11(7-16-14)8-18-3-4-19-10-13(20)5-12(19)9-18/h6-7,12-13,20H,3-5,8-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 277.37 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 167849942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).