1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol

C13H22N4O — CID 80843021

IUPAC1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCc1cnc(N)nc1NCC1(O)CCCCCC1
InChIInChI=1S/C13H22N4O/c1-10-8-15-12(14)17-11(10)16-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyUJECOQFJWPKLMS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.86
Rot. Bonds3

About 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol

1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 80843021) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
PubChem CID80843021
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCc1cnc(N)nc1NCC1(O)CCCCCC1
InChIInChI=1S/C13H22N4O/c1-10-8-15-12(14)17-11(10)16-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyUJECOQFJWPKLMS-UHFFFAOYSA-N
XLogP1.86
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine
CID 72939687
1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80843585
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
CID 114113423
1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79916056
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
CID 80790461

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (CID 80843021) is 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is Cc1cnc(N)nc1NCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is UJECOQFJWPKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-15-12(14)17-11(10)16-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H3,14,15,16,17).
What are the key properties of 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80843021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).