5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol

C20H30ClN5O2 — CID 171660248

IUPAC5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol
SMILESCC1CCC(Cn2cc(-c3nc(N)ncc3Cl)cn2)CC1.OC1CCCOC1
InChIInChI=1S/C15H20ClN5.C5H10O2/c1-10-2-4-11(5-3-10)8-21-9-12(6-19-21)14-13(16)7-18-15(17)20-14;6-5-2-1-3-7-4-5/h6-7,9-11H,2-5,8H2,1H3,(H2,17,18,20);5-6H,1-4H2
InChIKeyWWPXDGCKHUKMCD-UHFFFAOYSA-N
MW407.95 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol

5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol (PubChem CID 171660248) has the molecular formula C20H30ClN5O2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol
PubChem CID171660248
Molecular FormulaC20H30ClN5O2
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC Name5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol
SMILESCC1CCC(Cn2cc(-c3nc(N)ncc3Cl)cn2)CC1.OC1CCCOC1
InChIInChI=1S/C15H20ClN5.C5H10O2/c1-10-2-4-11(5-3-10)8-21-9-12(6-19-21)14-13(16)7-18-15(17)20-14;6-5-2-1-3-7-4-5/h6-7,9-11H,2-5,8H2,1H3,(H2,17,18,20);5-6H,1-4H2
InChIKeyWWPXDGCKHUKMCD-UHFFFAOYSA-N
XLogP3.56
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
CID 171660077
5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol
CID 171660840
5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659515
5-chloro-4-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]pyrimidin-2-amine;oxan-3-ol
CID 171660576
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661359
5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659961
5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659421
CID 171659458
CID 171659458
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
5-chloro-4-[5-(4-methoxy-1-methylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyrimidin-2-amine;oxan-3-ol
CID 171661090
5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol (CID 171660248) is 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol is CC1CCC(Cn2cc(-c3nc(N)ncc3Cl)cn2)CC1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol?
The InChIKey is WWPXDGCKHUKMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5.C5H10O2/c1-10-2-4-11(5-3-10)8-21-9-12(6-19-21)14-13(16)7-18-15(17)20-14;6-5-2-1-3-7-4-5/h6-7,9-11H,2-5,8H2,1H3,(H2,17,18,20);5-6H,1-4H2.
What are the key properties of 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol has a molecular weight of 407.95 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171660248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).