3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

C10H14N6O — CID 7424134

IUPAC3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NC[C@H]3CCCO3)ncnc21
InChIInChI=1S/C10H14N6O/c1-16-10-8(14-15-16)9(12-6-13-10)11-5-7-3-2-4-17-7/h6-7H,2-5H2,1H3,(H,11,12,13)/t7-/m1/s1
InChIKeyPRWCXRNCNUYMCB-SSDOTTSWSA-N
MW234.26 g/mol
LogP0.35
Rot. Bonds3

About 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine

3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424134) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424134
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NC[C@H]3CCCO3)ncnc21
InChIInChI=1S/C10H14N6O/c1-16-10-8(14-15-16)9(12-6-13-10)11-5-7-3-2-4-17-7/h6-7H,2-5H2,1H3,(H,11,12,13)/t7-/m1/s1
InChIKeyPRWCXRNCNUYMCB-SSDOTTSWSA-N
XLogP0.35
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584408
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42109652
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
S-[[5-[6-(oxolan-2-ylmethylamino)purin-9-yl]oxolan-2-yl]methoxy]thiohydroxylamine
CID 170721853
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
6-(4-methylpiperidin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542968
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
1-(3,4-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476206

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 7424134) is 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(NC[C@H]3CCCO3)ncnc21.
What is the InChIKey of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is PRWCXRNCNUYMCB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N6O/c1-16-10-8(14-15-16)9(12-6-13-10)11-5-7-3-2-4-17-7/h6-7H,2-5H2,1H3,(H,11,12,13)/t7-/m1/s1.
What are the key properties of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine?
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 234.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).