6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

C17H25N7 — CID 56743493

IUPAC6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(NC(C)C)nc(N)n1)C2
InChIInChI=1S/C17H25N7/c1-10(2)5-14-19-7-12-8-24(9-13(12)21-14)16-6-15(20-11(3)4)22-17(18)23-16/h6-7,10-11H,5,8-9H2,1-4H3,(H3,18,20,22,23)
InChIKeyNHGWAUMTOYHBTE-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.39
Rot. Bonds5

About 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine

6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 56743493) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID56743493
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(NC(C)C)nc(N)n1)C2
InChIInChI=1S/C17H25N7/c1-10(2)5-14-19-7-12-8-24(9-13(12)21-14)16-6-15(20-11(3)4)22-17(18)23-16/h6-7,10-11H,5,8-9H2,1-4H3,(H3,18,20,22,23)
InChIKeyNHGWAUMTOYHBTE-UHFFFAOYSA-N
XLogP2.39
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 56743493) is 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Cc1ncc2c(n1)CN(c1cc(NC(C)C)nc(N)n1)C2.
What is the InChIKey of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is NHGWAUMTOYHBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-10(2)5-14-19-7-12-8-24(9-13(12)21-14)16-6-15(20-11(3)4)22-17(18)23-16/h6-7,10-11H,5,8-9H2,1-4H3,(H3,18,20,22,23).
What are the key properties of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 327.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 56743493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).