1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H18N4O — CID 79916056

IUPAC1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cncnc1NCC1(O)CCCCC1
InChIInChI=1S/C11H18N4O/c12-9-6-13-8-15-10(9)14-7-11(16)4-2-1-3-5-11/h6,8,16H,1-5,7,12H2,(H,13,14,15)
InChIKeyDLLXLYSHTAVAOT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds3

About 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79916056) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79916056
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cncnc1NCC1(O)CCCCC1
InChIInChI=1S/C11H18N4O/c12-9-6-13-8-15-10(9)14-7-11(16)4-2-1-3-5-11/h6,8,16H,1-5,7,12H2,(H,13,14,15)
InChIKeyDLLXLYSHTAVAOT-UHFFFAOYSA-N
XLogP1.17
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80915300
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol
CID 102984462
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
CID 79917375
4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 107416529

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 79916056) is 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Nc1cncnc1NCC1(O)CCCCC1.
What is the InChIKey of 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DLLXLYSHTAVAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-6-13-8-15-10(9)14-7-11(16)4-2-1-3-5-11/h6,8,16H,1-5,7,12H2,(H,13,14,15).
What are the key properties of 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).