3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

C18H25N3 — CID 62746667

IUPAC3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(-c2ccccc2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C18H25N3/c1-13(2)19-12-8-11-17-14(3)20-18(21-15(17)4)16-9-6-5-7-10-16/h5-7,9-10,13,19H,8,11-12H2,1-4H3
InChIKeyOJRPSHNYTSJNIE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.69
Rot. Bonds6

About 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62746667) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62746667
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(-c2ccccc2)nc(C)c1CCCNC(C)C
InChIInChI=1S/C18H25N3/c1-13(2)19-12-8-11-17-14(3)20-18(21-15(17)4)16-9-6-5-7-10-16/h5-7,9-10,13,19H,8,11-12H2,1-4H3
InChIKeyOJRPSHNYTSJNIE-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (CID 62746667) is 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is Cc1nc(-c2ccccc2)nc(C)c1CCCNC(C)C.
What is the InChIKey of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OJRPSHNYTSJNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(2)19-12-8-11-17-14(3)20-18(21-15(17)4)16-9-6-5-7-10-16/h5-7,9-10,13,19H,8,11-12H2,1-4H3.
What are the key properties of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62746667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).