1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea

C16H24N8O — CID 97344451

IUPAC1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
SMILESCC(C)c1nnc2n1C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2
InChIInChI=1S/C16H24N8O/c1-10(2)14-22-21-13-6-5-11(9-24(13)14)19-16(25)20-12-7-17-15(18-8-12)23(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,19,20,25)/t11-/m1/s1
InChIKeyMMQQLGBBXUZTTM-LLVKDONJSA-N
MW344.42 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea (PubChem CID 97344451) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
PubChem CID97344451
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
SMILESCC(C)c1nnc2n1C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2
InChIInChI=1S/C16H24N8O/c1-10(2)14-22-21-13-6-5-11(9-24(13)14)19-16(25)20-12-7-17-15(18-8-12)23(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,19,20,25)/t11-/m1/s1
InChIKeyMMQQLGBBXUZTTM-LLVKDONJSA-N
XLogP1.39
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 75473933
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 75480219
3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 95144835
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562
1-(4-methylphenyl)-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 155900026
5-phenyl-4-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoylamino]pentanoic acid
CID 122009464
9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988323
3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
CID 75470231
2-(2-methyl-1,3-thiazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95137616
5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide
CID 75468904
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea (CID 97344451) is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea is CC(C)c1nnc2n1C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
The InChIKey is MMQQLGBBXUZTTM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N8O/c1-10(2)14-22-21-13-6-5-11(9-24(13)14)19-16(25)20-12-7-17-15(18-8-12)23(3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,19,20,25)/t11-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea?
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea is sourced from PubChem (CID 97344451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).