2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine

C19H26N4O — CID 112894924

IUPAC2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C19H26N4O/c1-24-17-9-5-4-8-16(17)10-12-20-18-11-13-21-19(22-18)23-14-6-2-3-7-15-23/h4-5,8-9,11,13H,2-3,6-7,10,12,14-15H2,1H3,(H,20,21,22)
InChIKeyKAXMKVZQJWFQQI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.52
Rot. Bonds6

About 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine

2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 112894924) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID112894924
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C19H26N4O/c1-24-17-9-5-4-8-16(17)10-12-20-18-11-13-21-19(22-18)23-14-6-2-3-7-15-23/h4-5,8-9,11,13H,2-3,6-7,10,12,14-15H2,1H3,(H,20,21,22)
InChIKeyKAXMKVZQJWFQQI-UHFFFAOYSA-N
XLogP3.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
2-(azepan-1-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 112899263
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
N-[2-(1H-indol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884031
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888098
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
N-[2-(2-ethoxyphenyl)ethyl]-4-piperidin-1-yl-1,3,5-triazin-2-amine
CID 155415224
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 112894924) is 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccccc1CCNc1ccnc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is KAXMKVZQJWFQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-24-17-9-5-4-8-16(17)10-12-20-18-11-13-21-19(22-18)23-14-6-2-3-7-15-23/h4-5,8-9,11,13H,2-3,6-7,10,12,14-15H2,1H3,(H,20,21,22).
What are the key properties of 2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine?
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.52, 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)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 112894924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).