2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol

C16H23ClN6O — CID 156817339

IUPAC2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol
SMILESCn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CCO
InChIInChI=1S/C16H23ClN6O/c1-23-14(6-7-24)12(8-20-23)15-13(17)9-19-16(22-15)21-11-4-2-10(18)3-5-11/h8-11,24H,2-7,18H2,1H3,(H,19,21,22)
InChIKeyBOOWKJBFQHAQBU-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol

2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol (PubChem CID 156817339) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol
PubChem CID156817339
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol
SMILESCn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CCO
InChIInChI=1S/C16H23ClN6O/c1-23-14(6-7-24)12(8-20-23)15-13(17)9-19-16(22-15)21-11-4-2-10(18)3-5-11/h8-11,24H,2-7,18H2,1H3,(H,19,21,22)
InChIKeyBOOWKJBFQHAQBU-UHFFFAOYSA-N
XLogP1.75
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol with MolForge

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Related Compounds

7-amino-N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]heptanamide
CID 146345211
4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-pent-4-ynylcyclohexane-1,4-diamine
CID 139408375
7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]heptyl N-tert-butylcarbamate
CID 153449874
9-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]nonyl N-tert-butylcarbamate
CID 156817453
7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-methylamino]heptyl-methylcarbamic acid
CID 166681510
[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-(7-oxoheptyl)carbamic acid
CID 146345169
[(4E)-cyclooct-4-en-1-yl] N-[3-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]propyl]carbamate
CID 170043273
7-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]-N-methoxy-N-methylheptanamide
CID 146345200
2-[2-[2-[2-[[2-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 153449864
[2-(4-aminobutylamino)-2-oxoethyl] N-benzyl-N-[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 153449857
[(4Z)-6-methylcyclooct-4-en-1-yl] N-[3-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]propyl]carbamate
CID 170043229
5-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]-1-phenylmethoxycarbonylcyclohexyl]amino]pentanoic acid
CID 156817380

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol?
The IUPAC name of 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol (CID 156817339) is 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol is Cn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CCO.
What is the InChIKey of 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol?
The InChIKey is BOOWKJBFQHAQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O/c1-23-14(6-7-24)12(8-20-23)15-13(17)9-19-16(22-15)21-11-4-2-10(18)3-5-11/h8-11,24H,2-7,18H2,1H3,(H,19,21,22).
What are the key properties of 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol?
2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol has a molecular weight of 350.85 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]-1-methylpyrazol-5-yl]ethanol is sourced from PubChem (CID 156817339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).