2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C15H26N4O — CID 62319694

IUPAC2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-3-8-16-14-11-13(12-20-2)17-15(18-14)19-9-6-4-5-7-10-19/h11H,3-10,12H2,1-2H3,(H,16,17,18)
InChIKeySWPCCZQCMVRCLP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.83
Rot. Bonds6

About 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 62319694) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID62319694
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-3-8-16-14-11-13(12-20-2)17-15(18-14)19-9-6-4-5-7-10-19/h11H,3-10,12H2,1-2H3,(H,16,17,18)
InChIKeySWPCCZQCMVRCLP-UHFFFAOYSA-N
XLogP2.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62318582
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
2-(4-methylpiperazin-1-yl)-N,6-dipropylpyrimidin-4-amine
CID 62190377
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79088984
6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 106715942
2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79617577
6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 62319694) is 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is SWPCCZQCMVRCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-16-14-11-13(12-20-2)17-15(18-14)19-9-6-4-5-7-10-19/h11H,3-10,12H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62319694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).