2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine

C17H20N4 — CID 80984983

IUPAC2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(N2Cc3ccccc3C2)c1C
InChIInChI=1S/C17H20N4/c1-11-15(18-2)19-16(12-7-8-12)20-17(11)21-9-13-5-3-4-6-14(13)10-21/h3-6,12H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyFZQJYWMPDSZMCF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.22
Rot. Bonds3

About 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80984983) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80984983
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(N2Cc3ccccc3C2)c1C
InChIInChI=1S/C17H20N4/c1-11-15(18-2)19-16(12-7-8-12)20-17(11)21-9-13-5-3-4-6-14(13)10-21/h3-6,12H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyFZQJYWMPDSZMCF-UHFFFAOYSA-N
XLogP3.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperazin-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 113259067
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
2-cyclopropyl-6-indazol-1-yl-N,5-dimethylpyrimidin-4-amine
CID 80989377
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683985
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80987629
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 102971626
2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983840
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80988650
2-cyclopropyl-6-(2-ethylimidazol-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80992904
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977442
3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80985147

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine (CID 80984983) is 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(N2Cc3ccccc3C2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FZQJYWMPDSZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11-15(18-2)19-16(12-7-8-12)20-17(11)21-9-13-5-3-4-6-14(13)10-21/h3-6,12H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80984983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).