(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

C16H18N4O — CID 62231556

IUPAC(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)c1ncc(N)c(C(=O)N2Cc3ccccc3C2)n1
InChIInChI=1S/C16H18N4O/c1-10(2)15-18-7-13(17)14(19-15)16(21)20-8-11-5-3-4-6-12(11)9-20/h3-7,10H,8-9,17H2,1-2H3
InChIKeyZWZYBOOEGFATCC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.34
Rot. Bonds2

About (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 62231556) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID62231556
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)c1ncc(N)c(C(=O)N2Cc3ccccc3C2)n1
InChIInChI=1S/C16H18N4O/c1-10(2)15-18-7-13(17)14(19-15)16(21)20-8-11-5-3-4-6-12(11)9-20/h3-7,10H,8-9,17H2,1-2H3
InChIKeyZWZYBOOEGFATCC-UHFFFAOYSA-N
XLogP2.34
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 62231556) is (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is CC(C)c1ncc(N)c(C(=O)N2Cc3ccccc3C2)n1.
What is the InChIKey of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is ZWZYBOOEGFATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)15-18-7-13(17)14(19-15)16(21)20-8-11-5-3-4-6-12(11)9-20/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-propan-2-ylpyrimidin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 62231556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).