4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine

C20H22N4O — CID 22543614

IUPAC4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
SMILESNc1c(Oc2ccc3ccccc3c2)ncnc1N1CCCCCC1
InChIInChI=1S/C20H22N4O/c21-18-19(24-11-5-1-2-6-12-24)22-14-23-20(18)25-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,1-2,5-6,11-12,21H2
InChIKeyZFGKEDOQPNMGAS-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.38
Rot. Bonds3

About 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine

4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine (PubChem CID 22543614) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
PubChem CID22543614
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
SMILESNc1c(Oc2ccc3ccccc3c2)ncnc1N1CCCCCC1
InChIInChI=1S/C20H22N4O/c21-18-19(24-11-5-1-2-6-12-24)22-14-23-20(18)25-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,1-2,5-6,11-12,21H2
InChIKeyZFGKEDOQPNMGAS-UHFFFAOYSA-N
XLogP4.38
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-(4-methylpiperazin-1-yl)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482158
4-naphthalen-2-yloxyquinazoline
CID 31538161
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine?
The IUPAC name of 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine (CID 22543614) is 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine is Nc1c(Oc2ccc3ccccc3c2)ncnc1N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine?
The InChIKey is ZFGKEDOQPNMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-18-19(24-11-5-1-2-6-12-24)22-14-23-20(18)25-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,1-2,5-6,11-12,21H2.
What are the key properties of 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine?
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine has a molecular weight of 334.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 22543614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).