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

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

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Related Compounds

4-[[(1R,3S)-3-hydroxycycloheptyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237369
4-[(3-Hydroxy-3-methylbutyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575924
4-(Tert-butylamino)-2-((trans-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
CID 70982421
4-[[(1R,3R)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237065
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237171
4-[[(1S,3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237490
2-[(4-Hydroxycyclohexyl)amino]-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71237529
4-[[(1S,3R)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237622
4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237667
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237940
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-piperidin-4-ylpyrimidine-5-carboxamide
CID 72551074
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 72793255

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).