(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone

C23H24N4O — CID 166471158

IUPAC(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone
SMILESCC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3C3CC3)cn2)cc1
InChIInChI=1S/C23H24N4O/c1-15(2)11-16-3-7-19(8-4-16)27-23-25-12-18(13-26-23)22(28)20-9-10-24-14-21(20)17-5-6-17/h3-4,7-10,12-15,17H,5-6,11H2,1-2H3,(H,25,26,27)
InChIKeyVJZRINUDKQOGRK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.92
Rot. Bonds7

About (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone

(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone (PubChem CID 166471158) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone
PubChem CID166471158
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone
SMILESCC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3C3CC3)cn2)cc1
InChIInChI=1S/C23H24N4O/c1-15(2)11-16-3-7-19(8-4-16)27-23-25-12-18(13-26-23)22(28)20-9-10-24-14-21(20)17-5-6-17/h3-4,7-10,12-15,17H,5-6,11H2,1-2H3,(H,25,26,27)
InChIKeyVJZRINUDKQOGRK-UHFFFAOYSA-N
XLogP4.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopentyloxy-4-pyridinyl)-[2-[2-methoxy-4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone
CID 167301628
5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine
CID 166471120
2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 112514525
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-methyl-3-[4-(pyrimidin-2-ylamino)phenyl]propanoic acid
CID 82514047
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
but-2-enedioic acid;N-[4-[[4-(2-methylpropyl)phenyl]methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 69146440
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246976
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
3-(cyclopropylamino)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid
CID 82322826

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone?
The IUPAC name of (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone (CID 166471158) is (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone?
The canonical SMILES for (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone is CC(C)Cc1ccc(Nc2ncc(C(=O)c3ccncc3C3CC3)cn2)cc1.
What is the InChIKey of (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone?
The InChIKey is VJZRINUDKQOGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(2)11-16-3-7-19(8-4-16)27-23-25-12-18(13-26-23)22(28)20-9-10-24-14-21(20)17-5-6-17/h3-4,7-10,12-15,17H,5-6,11H2,1-2H3,(H,25,26,27).
What are the key properties of (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone?
(3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-4-pyridinyl)-[2-[4-(2-methylpropyl)anilino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 166471158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).