5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H22N6O — CID 95799995

IUPAC5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3nccn3C)nn2c(NC[C@@H]2CCCO2)c1C
InChIInChI=1S/C17H22N6O/c1-11-12(2)20-15-9-14(17-18-6-7-22(17)3)21-23(15)16(11)19-10-13-5-4-8-24-13/h6-7,9,13,19H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyHIBJVWBMTUWWJX-ZDUSSCGKSA-N
MW326.40 g/mol
LogP2.34
Rot. Bonds4

About 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95799995) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95799995
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3nccn3C)nn2c(NC[C@@H]2CCCO2)c1C
InChIInChI=1S/C17H22N6O/c1-11-12(2)20-15-9-14(17-18-6-7-22(17)3)21-23(15)16(11)19-10-13-5-4-8-24-13/h6-7,9,13,19H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyHIBJVWBMTUWWJX-ZDUSSCGKSA-N
XLogP2.34
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95800018
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8852996
N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46990297
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 154565762
2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
CID 56755962
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95799995) is 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(-c3nccn3C)nn2c(NC[C@@H]2CCCO2)c1C.
What is the InChIKey of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HIBJVWBMTUWWJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-12(2)20-15-9-14(17-18-6-7-22(17)3)21-23(15)16(11)19-10-13-5-4-8-24-13/h6-7,9,13,19H,4-5,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95799995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).