1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol

C12H20N4O — CID 116795995

IUPAC1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESNc1ccnc(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C12H20N4O/c13-10-5-8-14-11(16-10)15-9-12(17)6-3-1-2-4-7-12/h5,8,17H,1-4,6-7,9H2,(H3,13,14,15,16)
InChIKeyZHXOPPIJHMFHIL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.56
Rot. Bonds3

About 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol

1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 116795995) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID116795995
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESNc1ccnc(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C12H20N4O/c13-10-5-8-14-11(16-10)15-9-12(17)6-3-1-2-4-7-12/h5,8,17H,1-4,6-7,9H2,(H3,13,14,15,16)
InChIKeyZHXOPPIJHMFHIL-UHFFFAOYSA-N
XLogP1.56
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65118410
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 103911762
1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843196
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
CID 65122274
1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol
CID 102984462
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65102710

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol (CID 116795995) is 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol is Nc1ccnc(NCC2(O)CCCCCC2)n1.
What is the InChIKey of 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is ZHXOPPIJHMFHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-5-8-14-11(16-10)15-9-12(17)6-3-1-2-4-7-12/h5,8,17H,1-4,6-7,9H2,(H3,13,14,15,16).
What are the key properties of 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 116795995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).