1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C14H21N7O — CID 99581238

IUPAC1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@@H](C)NC(=O)Nc2cnc(N(C)C)nc2)n[nH]1
InChIInChI=1S/C14H21N7O/c1-9(5-11-6-10(2)19-20-11)17-14(22)18-12-7-15-13(16-8-12)21(3)4/h6-9H,5H2,1-4H3,(H,19,20)(H2,17,18,22)/t9-/m1/s1
InChIKeyCYASOYUDZSRFDM-SECBINFHSA-N
MW303.37 g/mol
LogP1.33
Rot. Bonds5

About 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99581238) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID99581238
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@@H](C)NC(=O)Nc2cnc(N(C)C)nc2)n[nH]1
InChIInChI=1S/C14H21N7O/c1-9(5-11-6-10(2)19-20-11)17-14(22)18-12-7-15-13(16-8-12)21(3)4/h6-9H,5H2,1-4H3,(H,19,20)(H2,17,18,22)/t9-/m1/s1
InChIKeyCYASOYUDZSRFDM-SECBINFHSA-N
XLogP1.33
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650
1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084988
4-[(6-methylpyridin-2-yl)amino]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 72131963
1-[2-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110267170
N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56868426
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56868741
4-((4,6-dimethylpyrimidin-2-yl)amino)-N-(1-methyl-1H-pyrazol-4-yl)butanamide
CID 71703202
N~2~-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 72848767
N,4-Dimethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]-1H-imidazole-2-carboxamide
CID 86286423
1-[5-[(3S)-1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97343950
4,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 104626474
4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
CID 164630963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99581238) is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is Cc1cc(C[C@@H](C)NC(=O)Nc2cnc(N(C)C)nc2)n[nH]1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is CYASOYUDZSRFDM-SECBINFHSA-N. The full InChI is InChI=1S/C14H21N7O/c1-9(5-11-6-10(2)19-20-11)17-14(22)18-12-7-15-13(16-8-12)21(3)4/h6-9H,5H2,1-4H3,(H,19,20)(H2,17,18,22)/t9-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 303.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99581238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).