2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide

C19H27N5O — CID 109248388

IUPAC2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)Nc2ccc(N(CC)CC)cc2)cn1
InChIInChI=1S/C19H27N5O/c1-4-7-12-20-19-21-13-15(14-22-19)18(25)23-16-8-10-17(11-9-16)24(5-2)6-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyWRROZCJYBVAARZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.79
Rot. Bonds9

About 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide

2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide (PubChem CID 109248388) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
PubChem CID109248388
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)Nc2ccc(N(CC)CC)cc2)cn1
InChIInChI=1S/C19H27N5O/c1-4-7-12-20-19-21-13-15(14-22-19)18(25)23-16-8-10-17(11-9-16)24(5-2)6-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyWRROZCJYBVAARZ-UHFFFAOYSA-N
XLogP3.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109248417
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide (CID 109248388) is 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide is CCCCNc1ncc(C(=O)Nc2ccc(N(CC)CC)cc2)cn1.
What is the InChIKey of 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide?
The InChIKey is WRROZCJYBVAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-7-12-20-19-21-13-15(14-22-19)18(25)23-16-8-10-17(11-9-16)24(5-2)6-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide?
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109248388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).