4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine

C17H21N3O — CID 133474071

IUPAC4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCOC(c3ccccc3)C2)n1
InChIInChI=1S/C17H21N3O/c1-12-10-13(2)19-17(18-12)20-15-8-9-21-16(11-15)14-6-4-3-5-7-14/h3-7,10,15-16H,8-9,11H2,1-2H3,(H,18,19,20)
InChIKeyIWJIGZXMEHQNQP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.43
Rot. Bonds3

About 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine

4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine (PubChem CID 133474071) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
PubChem CID133474071
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCOC(c3ccccc3)C2)n1
InChIInChI=1S/C17H21N3O/c1-12-10-13(2)19-17(18-12)20-15-8-9-21-16(11-15)14-6-4-3-5-7-14/h3-7,10,15-16H,8-9,11H2,1-2H3,(H,18,19,20)
InChIKeyIWJIGZXMEHQNQP-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
N-(2-phenyloxan-4-yl)quinolin-2-amine
CID 133474130
4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
CID 133474166
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 133474067
4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474099
5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
CID 133474083
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
CID 133475832
6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
CID 133474252
3-cyclopropyl-N-(2-phenyloxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 133474148
N-(4-methyl-2-nitrophenyl)-2-phenyloxan-4-amine
CID 133473991
7-ethyl-2-[(2-phenyloxan-4-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133474075

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine (CID 133474071) is 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine is Cc1cc(C)nc(NC2CCOC(c3ccccc3)C2)n1.
What is the InChIKey of 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
The InChIKey is IWJIGZXMEHQNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-13(2)19-17(18-12)20-15-8-9-21-16(11-15)14-6-4-3-5-7-14/h3-7,10,15-16H,8-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine?
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 133474071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).