6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine

C15H18N4 — CID 80822758

IUPAC6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C15H18N4/c1-2-7-16-14-8-15(18-11-17-14)19-9-12-5-3-4-6-13(12)10-19/h3-6,8,11H,2,7,9-10H2,1H3,(H,16,17,18)
InChIKeyBODYRGUEBFBMSY-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.82
Rot. Bonds4

About 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine

6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 80822758) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
PubChem CID80822758
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C15H18N4/c1-2-7-16-14-8-15(18-11-17-14)19-9-12-5-3-4-6-13(12)10-19/h3-6,8,11H,2,7,9-10H2,1H3,(H,16,17,18)
InChIKeyBODYRGUEBFBMSY-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80853526
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
CID 112879207
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 22309526
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282250

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine (CID 80822758) is 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(N2Cc3ccccc3C2)ncn1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is BODYRGUEBFBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-7-16-14-8-15(18-11-17-14)19-9-12-5-3-4-6-13(12)10-19/h3-6,8,11H,2,7,9-10H2,1H3,(H,16,17,18).
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine?
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80822758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).