2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide

C19H26N4O — CID 42670835

IUPAC2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C(C)C
InChIInChI=1S/C19H26N4O/c1-6-10-20-19(24)16-12-21-17(15-9-7-8-14(4)11-15)22-18(16)23(5)13(2)3/h7-9,11-13H,6,10H2,1-5H3,(H,20,24)
InChIKeyIVDWMGKYGAGAKZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.44
Rot. Bonds6

About 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide

2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide (PubChem CID 42670835) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
PubChem CID42670835
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C(C)C
InChIInChI=1S/C19H26N4O/c1-6-10-20-19(24)16-12-21-17(15-9-7-8-14(4)11-15)22-18(16)23(5)13(2)3/h7-9,11-13H,6,10H2,1-5H3,(H,20,24)
InChIKeyIVDWMGKYGAGAKZ-UHFFFAOYSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide (CID 42670835) is 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C(C)C.
What is the InChIKey of 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
The InChIKey is IVDWMGKYGAGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-10-20-19(24)16-12-21-17(15-9-7-8-14(4)11-15)22-18(16)23(5)13(2)3/h7-9,11-13H,6,10H2,1-5H3,(H,20,24).
What are the key properties of 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide?
2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).