4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide

C24H35N5O — CID 42882415

IUPAC4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(-c2ccccc2)nc1N(C)C1CCN(C)CC1
InChIInChI=1S/C24H35N5O/c1-5-14-29(15-6-2)24(30)21-18-25-22(19-10-8-7-9-11-19)26-23(21)28(4)20-12-16-27(3)17-13-20/h7-11,18,20H,5-6,12-17H2,1-4H3
InChIKeyIIOPOYPYWLSPOC-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.94
Rot. Bonds8

About 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide

4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 42882415) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide
PubChem CID42882415
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(-c2ccccc2)nc1N(C)C1CCN(C)CC1
InChIInChI=1S/C24H35N5O/c1-5-14-29(15-6-2)24(30)21-18-25-22(19-10-8-7-9-11-19)26-23(21)28(4)20-12-16-27(3)17-13-20/h7-11,18,20H,5-6,12-17H2,1-4H3
InChIKeyIIOPOYPYWLSPOC-UHFFFAOYSA-N
XLogP3.94
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide?
The IUPAC name of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide (CID 42882415) is 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(-c2ccccc2)nc1N(C)C1CCN(C)CC1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide?
The InChIKey is IIOPOYPYWLSPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-5-14-29(15-6-2)24(30)21-18-25-22(19-10-8-7-9-11-19)26-23(21)28(4)20-12-16-27(3)17-13-20/h7-11,18,20H,5-6,12-17H2,1-4H3.
What are the key properties of 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide?
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 42882415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).