N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide

C20H29N5O — CID 109301738

IUPACN-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCCCN(C)C)n1
InChIInChI=1S/C20H29N5O/c1-16(2)25(15-17-9-6-5-7-10-17)19(26)18-11-13-22-20(23-18)21-12-8-14-24(3)4/h5-7,9-11,13,16H,8,12,14-15H2,1-4H3,(H,21,22,23)
InChIKeyLMIUXKQXJNLETF-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.89
Rot. Bonds9

About N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109301738) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109301738
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCCCN(C)C)n1
InChIInChI=1S/C20H29N5O/c1-16(2)25(15-17-9-6-5-7-10-17)19(26)18-11-13-22-20(23-18)21-12-8-14-24(3)4/h5-7,9-11,13,16H,8,12,14-15H2,1-4H3,(H,21,22,23)
InChIKeyLMIUXKQXJNLETF-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.89
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

N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-benzyl-2-(4-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311710
N-benzyl-2-(3-cyanoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311728
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109301738) is N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCCCN(C)C)n1.
What is the InChIKey of N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is LMIUXKQXJNLETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16(2)25(15-17-9-6-5-7-10-17)19(26)18-11-13-22-20(23-18)21-12-8-14-24(3)4/h5-7,9-11,13,16H,8,12,14-15H2,1-4H3,(H,21,22,23).
What are the key properties of N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109301738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).