[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol

C11H17ClN4O — CID 63023085

IUPAC[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESNc1c(Cl)ncnc1NC1(CO)CCCCC1
InChIInChI=1S/C11H17ClN4O/c12-9-8(13)10(15-7-14-9)16-11(6-17)4-2-1-3-5-11/h7,17H,1-6,13H2,(H,14,15,16)
InChIKeyKEKOLZJDVARPIT-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.82
Rot. Bonds3

About [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol

[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 63023085) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID63023085
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESNc1c(Cl)ncnc1NC1(CO)CCCCC1
InChIInChI=1S/C11H17ClN4O/c12-9-8(13)10(15-7-14-9)16-11(6-17)4-2-1-3-5-11/h7,17H,1-6,13H2,(H,14,15,16)
InChIKeyKEKOLZJDVARPIT-UHFFFAOYSA-N
XLogP1.82
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(1-ethylcyclopropyl)pyrimidine-4,5-diamine
CID 131052391
[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80919373
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
[1-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 114072202
[1-[(5-aminopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 62552151
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
CID 62833166
[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80804152
[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
CID 81035955
[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 138598108
[1-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 62551986
[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62521331
[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 105369688

Frequently Asked Questions

What is the IUPAC name of [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol (CID 63023085) is [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol is Nc1c(Cl)ncnc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is KEKOLZJDVARPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-9-8(13)10(15-7-14-9)16-11(6-17)4-2-1-3-5-11/h7,17H,1-6,13H2,(H,14,15,16).
What are the key properties of [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 256.74 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 63023085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).