2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide

C20H28N4O2 — CID 109324083

IUPAC2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C20H28N4O2/c1-15(2)24(14-17-9-6-5-7-10-17)20-22-16(3)13-18(23-20)19(25)21-11-8-12-26-4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,21,25)
InChIKeyUOZSIJNQQYYXGI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.97
Rot. Bonds9

About 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109324083) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109324083
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C20H28N4O2/c1-15(2)24(14-17-9-6-5-7-10-17)20-22-16(3)13-18(23-20)19(25)21-11-8-12-26-4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,21,25)
InChIKeyUOZSIJNQQYYXGI-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325335
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109323750
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (CID 109324083) is 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is UOZSIJNQQYYXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)24(14-17-9-6-5-7-10-17)20-22-16(3)13-18(23-20)19(25)21-11-8-12-26-4/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,21,25).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).