4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine

C21H21N3O2 — CID 167852738

IUPAC4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
SMILESc1ccc(Oc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-3-7-16(8-4-1)19-15-17(12-14-25-19)23-21-22-13-11-20(24-21)26-18-9-5-2-6-10-18/h1-11,13,17,19H,12,14-15H2,(H,22,23,24)
InChIKeyJZBYRXBBUUBFHA-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.60
Rot. Bonds5

About 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine

4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine (PubChem CID 167852738) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
PubChem CID167852738
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
SMILESc1ccc(Oc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-3-7-16(8-4-1)19-15-17(12-14-25-19)23-21-22-13-11-20(24-21)26-18-9-5-2-6-10-18/h1-11,13,17,19H,12,14-15H2,(H,22,23,24)
InChIKeyJZBYRXBBUUBFHA-UHFFFAOYSA-N
XLogP4.60
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474099
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-4-phenoxypyrimidin-2-amine
CID 167810157
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 114108395
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
CID 133475832
N-(2-phenyloxan-4-yl)quinolin-2-amine
CID 133474130
2-methyl-N-(4-phenoxypyrimidin-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 166271427
2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
CID 167855530
6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
CID 133474252

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine (CID 167852738) is 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine is c1ccc(Oc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The InChIKey is JZBYRXBBUUBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-7-16(8-4-1)19-15-17(12-14-25-19)23-21-22-13-11-20(24-21)26-18-9-5-2-6-10-18/h1-11,13,17,19H,12,14-15H2,(H,22,23,24).
What are the key properties of 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 167852738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).