6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

C18H27N7O — CID 129339873

IUPAC6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1
InChIInChI=1S/C18H27N7O/c1-12(2)18-13(5-4-8-26-18)22-15-9-14(20-11-21-15)19-10-17-24-23-16-6-3-7-25(16)17/h9,11-13,18H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t13-,18-/m0/s1
InChIKeyPEUPGGWQXXIOMV-UGSOOPFHSA-N
MW357.46 g/mol
LogP2.24
Rot. Bonds6

About 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129339873) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129339873
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1
InChIInChI=1S/C18H27N7O/c1-12(2)18-13(5-4-8-26-18)22-15-9-14(20-11-21-15)19-10-17-24-23-16-6-3-7-25(16)17/h9,11-13,18H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t13-,18-/m0/s1
InChIKeyPEUPGGWQXXIOMV-UGSOOPFHSA-N
XLogP2.24
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474157
N-[3-[[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 129007971
4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129344311
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-6-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129475071
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129331963
1-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 129334770
6-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129474578
(3R)-1-(1-methylpyrazol-4-yl)-3-[[6-[[(2S,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 129476091
N-ethyl-1-[6-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-4-yl]pyrrolidine-3-sulfonamide
CID 128992804
2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 129475129
1-(oxolan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428943

Frequently Asked Questions

What is the IUPAC name of 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (CID 129339873) is 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2nnc3n2CCC3)ncn1.
What is the InChIKey of 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is PEUPGGWQXXIOMV-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H27N7O/c1-12(2)18-13(5-4-8-26-18)22-15-9-14(20-11-21-15)19-10-17-24-23-16-6-3-7-25(16)17/h9,11-13,18H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t13-,18-/m0/s1.
What are the key properties of 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 357.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129339873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).