4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C17H24N8 — CID 56746999

IUPAC4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCc1ncc2c(n1)CN(c1cc(N3CCN(C)CC3)nc(N)n1)C2
InChIInChI=1S/C17H24N8/c1-3-14-19-9-12-10-25(11-13(12)20-14)16-8-15(21-17(18)22-16)24-6-4-23(2)5-7-24/h8-9H,3-7,10-11H2,1-2H3,(H2,18,21,22)
InChIKeyRUEZJXQMNMJAJK-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.68
Rot. Bonds3

About 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 56746999) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID56746999
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCc1ncc2c(n1)CN(c1cc(N3CCN(C)CC3)nc(N)n1)C2
InChIInChI=1S/C17H24N8/c1-3-14-19-9-12-10-25(11-13(12)20-14)16-8-15(21-17(18)22-16)24-6-4-23(2)5-7-24/h8-9H,3-7,10-11H2,1-2H3,(H2,18,21,22)
InChIKeyRUEZJXQMNMJAJK-UHFFFAOYSA-N
XLogP0.68
TPSA87.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56703409
4-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyrimidin-2-amine
CID 56711018
2-[[2-Amino-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl]amino]ethanol
CID 56738255
N-ethyl-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-amine
CID 56739458
2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine
CID 56740316
N~4~-cyclopropyl-6-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine
CID 56742230
4-[2-(2-Methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 56742568
6-[2-(2-Methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
CID 56745442
N4-cyclopropyl-6-(2-ethyl-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)pyrimidine-2,4-diamine
CID 56745634
2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-N-isopropylpyrimidin-4-amine
CID 56748139
2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-N,N-dimethylpyrimidin-4-amine
CID 56749000
2-{[2-amino-6-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino}ethanol
CID 56752434

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 56746999) is 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CCc1ncc2c(n1)CN(c1cc(N3CCN(C)CC3)nc(N)n1)C2.
What is the InChIKey of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is RUEZJXQMNMJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-3-14-19-9-12-10-25(11-13(12)20-14)16-8-15(21-17(18)22-16)24-6-4-23(2)5-7-24/h8-9H,3-7,10-11H2,1-2H3,(H2,18,21,22).
What are the key properties of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 340.44 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 56746999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).