N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide

C19H27N5O — CID 109338428

IUPACN-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(N(CC)CC)cc2C)ncn1
InChIInChI=1S/C19H27N5O/c1-5-10-20-18-12-17(21-13-22-18)19(25)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,25)(H,20,21,22)
InChIKeyQBCLJUQAULQTJQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.71
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109338428) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109338428
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(N(CC)CC)cc2C)ncn1
InChIInChI=1S/C19H27N5O/c1-5-10-20-18-12-17(21-13-22-18)19(25)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,25)(H,20,21,22)
InChIKeyQBCLJUQAULQTJQ-UHFFFAOYSA-N
XLogP3.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109346609
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319048
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666
N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113888
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide (CID 109338428) is N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccc(N(CC)CC)cc2C)ncn1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is QBCLJUQAULQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-10-20-18-12-17(21-13-22-18)19(25)23-16-9-8-15(11-14(16)4)24(6-2)7-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,25)(H,20,21,22).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).