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

C19H27N7O2 — CID 175176525

IUPAC[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1
InChIInChI=1S/C19H27N7O2/c20-18(27)28-14-7-5-13(6-8-14)22-19-21-10-9-16(24-19)23-17-11-15(25-26-17)12-3-1-2-4-12/h9-14H,1-8H2,(H2,20,27)(H3,21,22,23,24,25,26)
InChIKeyGFOBDIASERUFDY-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.42
Rot. Bonds6

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

[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate (PubChem CID 175176525) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
PubChem CID175176525
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1
InChIInChI=1S/C19H27N7O2/c20-18(27)28-14-7-5-13(6-8-14)22-19-21-10-9-16(24-19)23-17-11-15(25-26-17)12-3-1-2-4-12/h9-14H,1-8H2,(H2,20,27)(H3,21,22,23,24,25,26)
InChIKeyGFOBDIASERUFDY-UHFFFAOYSA-N
XLogP3.42
TPSA130.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175185632
phenyl N-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 154687395
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(2-methoxyethyl)urea
CID 162490781
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1-cyclopropylpiperidin-4-yl)propan-2-one
CID 163628097
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]propan-2-one
CID 163594369
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(4-methyloxan-4-yl)propan-2-one
CID 163732027
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one
CID 174114784
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1-methylcyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 166866982
1-[4-[[4-[[5-(oxolan-3-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(3-phenylcyclobutyl)urea
CID 162490726
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
The IUPAC name of [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate (CID 175176525) is [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate is NC(=O)OC1CCC(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)CC1.
What is the InChIKey of [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
The InChIKey is GFOBDIASERUFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c20-18(27)28-14-7-5-13(6-8-14)22-19-21-10-9-16(24-19)23-17-11-15(25-26-17)12-3-1-2-4-12/h9-14H,1-8H2,(H2,20,27)(H3,21,22,23,24,25,26).
What are the key properties of [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate?
[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate has a molecular weight of 385.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate is sourced from PubChem (CID 175176525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).