4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine

C15H19N7 — CID 56745634

IUPAC4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine
SMILESCCc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2
InChIInChI=1S/C15H19N7/c1-2-12-17-6-9-7-22(8-11(9)19-12)14-5-13(18-10-3-4-10)20-15(16)21-14/h5-6,10H,2-4,7-8H2,1H3,(H3,16,18,20,21)
InChIKeyLDUYZFMIQTUXSO-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.51
Rot. Bonds4

About 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine

4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine (PubChem CID 56745634) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine
PubChem CID56745634
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine
SMILESCCc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2
InChIInChI=1S/C15H19N7/c1-2-12-17-6-9-7-22(8-11(9)19-12)14-5-13(18-10-3-4-10)20-15(16)21-14/h5-6,10H,2-4,7-8H2,1H3,(H3,16,18,20,21)
InChIKeyLDUYZFMIQTUXSO-UHFFFAOYSA-N
XLogP1.51
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine (CID 56745634) is 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine is CCc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2.
What is the InChIKey of 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine?
The InChIKey is LDUYZFMIQTUXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-2-12-17-6-9-7-22(8-11(9)19-12)14-5-13(18-10-3-4-10)20-15(16)21-14/h5-6,10H,2-4,7-8H2,1H3,(H3,16,18,20,21).
What are the key properties of 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine has a molecular weight of 297.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56745634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).