2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine

C15H25N3O — CID 116776105

IUPAC2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(C2(OC)CCCCCC2)nc(C)c1C
InChIInChI=1S/C15H25N3O/c1-11-12(2)17-14(18-13(11)16-3)15(19-4)9-7-5-6-8-10-15/h5-10H2,1-4H3,(H,16,17,18)
InChIKeyPYMDUGCQKKQEMY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds3

About 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine

2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 116776105) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID116776105
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(C2(OC)CCCCCC2)nc(C)c1C
InChIInChI=1S/C15H25N3O/c1-11-12(2)17-14(18-13(11)16-3)15(19-4)9-7-5-6-8-10-15/h5-10H2,1-4H3,(H,16,17,18)
InChIKeyPYMDUGCQKKQEMY-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
CID 116777102
5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine (CID 116776105) is 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(C2(OC)CCCCCC2)nc(C)c1C.
What is the InChIKey of 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is PYMDUGCQKKQEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-12(2)17-14(18-13(11)16-3)15(19-4)9-7-5-6-8-10-15/h5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 116776105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).