2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine

C18H25N3 — CID 62757648

IUPAC2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(-c2ccccc2)nc1C
InChIInChI=1S/C18H25N3/c1-5-11-19-12-13(2)17-14(3)20-18(21-15(17)4)16-9-7-6-8-10-16/h6-10,13,19H,5,11-12H2,1-4H3
InChIKeyJTTVHUWKQIVXDC-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.86
Rot. Bonds6

About 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine

2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine (PubChem CID 62757648) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine
PubChem CID62757648
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1c(C)nc(-c2ccccc2)nc1C
InChIInChI=1S/C18H25N3/c1-5-11-19-12-13(2)17-14(3)20-18(21-15(17)4)16-9-7-6-8-10-16/h6-10,13,19H,5,11-12H2,1-4H3
InChIKeyJTTVHUWKQIVXDC-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine (CID 62757648) is 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine is CCCNCC(C)c1c(C)nc(-c2ccccc2)nc1C.
What is the InChIKey of 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine?
The InChIKey is JTTVHUWKQIVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-11-19-12-13(2)17-14(3)20-18(21-15(17)4)16-9-7-6-8-10-16/h6-10,13,19H,5,11-12H2,1-4H3.
What are the key properties of 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine?
2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62757648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).