2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide

C23H37N5O2 — CID 123245830

IUPAC2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCC1(C)CC[C@@H](Nc2nc(NC3(C4CCCC4)CCCC3)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C23H37N5O2/c1-22(2)12-9-16(13-18(22)29)26-20-17(19(24)30)14-25-21(27-20)28-23(10-5-6-11-23)15-7-3-4-8-15/h14-16,18,29H,3-13H2,1-2H3,(H2,24,30)(H2,25,26,27,28)/t16-,18-/m1/s1
InChIKeyBOACKNMIWCDSDD-SJLPKXTDSA-N
MW415.58 g/mol
LogP3.84
Rot. Bonds6

About 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide

2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 123245830) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID123245830
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC Name2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCC1(C)CC[C@@H](Nc2nc(NC3(C4CCCC4)CCCC3)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C23H37N5O2/c1-22(2)12-9-16(13-18(22)29)26-20-17(19(24)30)14-25-21(27-20)28-23(10-5-6-11-23)15-7-3-4-8-15/h14-16,18,29H,3-13H2,1-2H3,(H2,24,30)(H2,25,26,27,28)/t16-,18-/m1/s1
InChIKeyBOACKNMIWCDSDD-SJLPKXTDSA-N
XLogP3.84
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide
CID 71237462
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
4-[(1-cyclopentylcyclopentyl)amino]-2-[(4-hydroxy-1-bicyclo[2.2.1]heptanyl)amino]pyrimidine-5-carboxamide
CID 118523871
2-(1-bicyclo[1.1.1]pentanylamino)-4-[[(1R,3S)-3-hydroxycycloheptyl]amino]pyrimidine-5-carboxamide
CID 71237664
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-[(4-hydroxy-1-bicyclo[2.2.2]octanyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 71237803
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
2-[(4,4-difluorocyclohexyl)amino]-4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242345
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]pyrimidine-5-carboxamide
CID 118375405

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide (CID 123245830) is 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide is CC1(C)CC[C@@H](Nc2nc(NC3(C4CCCC4)CCCC3)ncc2C(N)=O)C[C@H]1O.
What is the InChIKey of 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is BOACKNMIWCDSDD-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-22(2)12-9-16(13-18(22)29)26-20-17(19(24)30)14-25-21(27-20)28-23(10-5-6-11-23)15-7-3-4-8-15/h14-16,18,29H,3-13H2,1-2H3,(H2,24,30)(H2,25,26,27,28)/t16-,18-/m1/s1.
What are the key properties of 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide?
2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylcyclopentyl)amino]-4-[[(1R,3R)-3-hydroxy-4,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 123245830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).