[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate

C15H21N7O2 — CID 175185632

IUPAC[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
SMILESCc1cc(Nc2ccnc(NC3CCC(OC(N)=O)CC3)n2)n[nH]1
InChIInChI=1S/C15H21N7O2/c1-9-8-13(22-21-9)19-12-6-7-17-15(20-12)18-10-2-4-11(5-3-10)24-14(16)23/h6-8,10-11H,2-5H2,1H3,(H2,16,23)(H3,17,18,19,20,21,22)
InChIKeyGSBLDYWWDOTUTI-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.07
Rot. Bonds5

About [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate

[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate (PubChem CID 175185632) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
PubChem CID175185632
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
SMILESCc1cc(Nc2ccnc(NC3CCC(OC(N)=O)CC3)n2)n[nH]1
InChIInChI=1S/C15H21N7O2/c1-9-8-13(22-21-9)19-12-6-7-17-15(20-12)18-10-2-4-11(5-3-10)24-14(16)23/h6-8,10-11H,2-5H2,1H3,(H2,16,23)(H3,17,18,19,20,21,22)
InChIKeyGSBLDYWWDOTUTI-UHFFFAOYSA-N
XLogP2.07
TPSA130.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate 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

[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175176525
1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea
CID 154687364
1-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propan-2-one
CID 163657998
ethyl 2-[[2-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112882454
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide
CID 110096941
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(2-methoxyethyl)urea
CID 162490781
[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate
CID 175377588
phenyl N-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 154687395
N-[4-[[4-(cyclopropylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]-N-methylcyclopropanecarboxamide
CID 70820849
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide
CID 110096944
ethyl 4-[[4-(3,4-difluoroanilino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897878

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
The IUPAC name of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate (CID 175185632) is [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate is Cc1cc(Nc2ccnc(NC3CCC(OC(N)=O)CC3)n2)n[nH]1.
What is the InChIKey of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
The InChIKey is GSBLDYWWDOTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9-8-13(22-21-9)19-12-6-7-17-15(20-12)18-10-2-4-11(5-3-10)24-14(16)23/h6-8,10-11H,2-5H2,1H3,(H2,16,23)(H3,17,18,19,20,21,22).
What are the key properties of [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate has a molecular weight of 331.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate is sourced from PubChem (CID 175185632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).