4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol

C17H28N4O2 — CID 75512521

IUPAC4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cnc(NC2CCC(O)CC2)nc1NC1CCC(O)CC1
InChIInChI=1S/C17H28N4O2/c1-11-10-18-17(20-13-4-8-15(23)9-5-13)21-16(11)19-12-2-6-14(22)7-3-12/h10,12-15,22-23H,2-9H2,1H3,(H2,18,19,20,21)
InChIKeyXQMWTWURVILAOB-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.22
Rot. Bonds4

About 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 75512521) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID75512521
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cnc(NC2CCC(O)CC2)nc1NC1CCC(O)CC1
InChIInChI=1S/C17H28N4O2/c1-11-10-18-17(20-13-4-8-15(23)9-5-13)21-16(11)19-12-2-6-14(22)7-3-12/h10,12-15,22-23H,2-9H2,1H3,(H2,18,19,20,21)
InChIKeyXQMWTWURVILAOB-UHFFFAOYSA-N
XLogP2.22
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 75512521) is 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cnc(NC2CCC(O)CC2)nc1NC1CCC(O)CC1.
What is the InChIKey of 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is XQMWTWURVILAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11-10-18-17(20-13-4-8-15(23)9-5-13)21-16(11)19-12-2-6-14(22)7-3-12/h10,12-15,22-23H,2-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 320.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 75512521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).