(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone

C19H25N5O2 — CID 109302309

IUPAC(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(2)26-16-6-4-15(5-7-16)21-19-20-9-8-17(22-19)18(25)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,20,21,22)
InChIKeyAFGFMBLAGBWEBD-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.39
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone

(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone (PubChem CID 109302309) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
PubChem CID109302309
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H25N5O2/c1-14(2)26-16-6-4-15(5-7-16)21-19-20-9-8-17(22-19)18(25)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,20,21,22)
InChIKeyAFGFMBLAGBWEBD-UHFFFAOYSA-N
XLogP2.39
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109302322
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302300
(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109186368
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]methanone
CID 109313354
[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298550
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109301644
[2-(2-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302335
methyl 4-[[4-(4-formylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109302944
(4-methylpiperazin-1-yl)-[2-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 109302365
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone (CID 109302309) is (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone is CC(C)Oc1ccc(Nc2nccc(C(=O)N3CCN(C)CC3)n2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
The InChIKey is AFGFMBLAGBWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(2)26-16-6-4-15(5-7-16)21-19-20-9-8-17(22-19)18(25)24-12-10-23(3)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,20,21,22).
What are the key properties of (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109302309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).