[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C18H22N4O2 — CID 109341134

IUPAC[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1ccc(Nc2cc(C(=O)N3CCCC3)ncn2)cc1
InChIInChI=1S/C18H22N4O2/c1-13(2)24-15-7-5-14(6-8-15)21-17-11-16(19-12-20-17)18(23)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeySTEWAPRTAIEKJP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.24
Rot. Bonds5

About [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109341134) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109341134
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1ccc(Nc2cc(C(=O)N3CCCC3)ncn2)cc1
InChIInChI=1S/C18H22N4O2/c1-13(2)24-15-7-5-14(6-8-15)21-17-11-16(19-12-20-17)18(23)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeySTEWAPRTAIEKJP-UHFFFAOYSA-N
XLogP3.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109350805
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
methyl 4-[[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109345200
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729

Frequently Asked Questions

What is the IUPAC name of [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109341134) is [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)Oc1ccc(Nc2cc(C(=O)N3CCCC3)ncn2)cc1.
What is the InChIKey of [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is STEWAPRTAIEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)24-15-7-5-14(6-8-15)21-17-11-16(19-12-20-17)18(23)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109341134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).