2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

C18H25N5O — CID 109252945

IUPAC2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(NCCN(C)C)nc1
InChIInChI=1S/C18H25N5O/c1-13(2)15-7-5-6-8-16(15)22-17(24)14-11-20-18(21-12-14)19-9-10-23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyNMQKKEZDCNJIKV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.83
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109252945) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109252945
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(NCCN(C)C)nc1
InChIInChI=1S/C18H25N5O/c1-13(2)15-7-5-6-8-16(15)22-17(24)14-11-20-18(21-12-14)19-9-10-23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyNMQKKEZDCNJIKV-UHFFFAOYSA-N
XLogP2.83
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 109060178
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109248829
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260702
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109253002
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109252945) is 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(NCCN(C)C)nc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is NMQKKEZDCNJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)15-7-5-6-8-16(15)22-17(24)14-11-20-18(21-12-14)19-9-10-23(3)4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)(H,19,20,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).