6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide

C20H28N4O — CID 109355356

IUPAC6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccccc2C(C)C)ncn1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-19(22-14-21-18)23-17-10-8-7-9-16(17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,22,23)
InChIKeyLZNVYZNWQOVELN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.61
Rot. Bonds8

About 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide

6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109355356) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109355356
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccccc2C(C)C)ncn1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-19(22-14-21-18)23-17-10-8-7-9-16(17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,22,23)
InChIKeyLZNVYZNWQOVELN-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353448
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195071
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349598
4-N-butan-2-yl-6-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112855546
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109355356) is 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccccc2C(C)C)ncn1.
What is the InChIKey of 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is LZNVYZNWQOVELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-19(22-14-21-18)23-17-10-8-7-9-16(17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,21,22,23).
What are the key properties of 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide?
6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).