6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide

C18H24N4O — CID 109355343

IUPAC6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-10-22(11-5-2)18(23)16-12-17(20-13-19-16)21-15-8-6-14(3)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyAMRMPOZFPVFLSB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.79
Rot. Bonds7

About 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide

6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109355343) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109355343
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-10-22(11-5-2)18(23)16-12-17(20-13-19-16)21-15-8-6-14(3)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyAMRMPOZFPVFLSB-UHFFFAOYSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355356
6-(3-chloro-4-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353435
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109355343) is 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(C)cc2)ncn1.
What is the InChIKey of 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is AMRMPOZFPVFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-10-22(11-5-2)18(23)16-12-17(20-13-19-16)21-15-8-6-14(3)7-9-15/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).