4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C16H26N4O — CID 106138643

IUPAC4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1cc(NCC2CCC(O)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4O/c1-2-17-14-9-15(20-16(19-14)12-5-6-12)18-10-11-3-7-13(21)8-4-11/h9,11-13,21H,2-8,10H2,1H3,(H2,17,18,19,20)
InChIKeyIDKWYAKPDAGXNN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds6

About 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138643) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138643
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1cc(NCC2CCC(O)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4O/c1-2-17-14-9-15(20-16(19-14)12-5-6-12)18-10-11-3-7-13(21)8-4-11/h9,11-13,21H,2-8,10H2,1H3,(H2,17,18,19,20)
InChIKeyIDKWYAKPDAGXNN-UHFFFAOYSA-N
XLogP2.75
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 106138643) is 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCNc1cc(NCC2CCC(O)CC2)nc(C2CC2)n1.
What is the InChIKey of 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is IDKWYAKPDAGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-17-14-9-15(20-16(19-14)12-5-6-12)18-10-11-3-7-13(21)8-4-11/h9,11-13,21H,2-8,10H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).