N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide

C21H31N5O — CID 109373885

IUPACN-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NC(C)(C)C)nc(C)n2)c(C)c1
InChIInChI=1S/C21H31N5O/c1-8-26(9-2)16-10-11-17(14(3)12-16)24-19-13-18(22-15(4)23-19)20(27)25-21(5,6)7/h10-13H,8-9H2,1-7H3,(H,25,27)(H,22,23,24)
InChIKeyIIPLLPRLXMQBRZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.21
Rot. Bonds6

About N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide

N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109373885) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide
PubChem CID109373885
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NC(C)(C)C)nc(C)n2)c(C)c1
InChIInChI=1S/C21H31N5O/c1-8-26(9-2)16-10-11-17(14(3)12-16)24-19-13-18(22-15(4)23-19)20(27)25-21(5,6)7/h10-13H,8-9H2,1-7H3,(H,25,27)(H,22,23,24)
InChIKeyIIPLLPRLXMQBRZ-UHFFFAOYSA-N
XLogP4.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.21
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

N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727
N-tert-butyl-6-[4-(dimethylamino)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373851
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
6-(azepan-1-yl)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 112847752
N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109031413
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360296
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide (CID 109373885) is N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)NC(C)(C)C)nc(C)n2)c(C)c1.
What is the InChIKey of N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is IIPLLPRLXMQBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-8-26(9-2)16-10-11-17(14(3)12-16)24-19-13-18(22-15(4)23-19)20(27)25-21(5,6)7/h10-13H,8-9H2,1-7H3,(H,25,27)(H,22,23,24).
What are the key properties of N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide?
N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).