N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine

C16H22N6 — CID 56749000

IUPACN,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1nccc(N(C)C)n1)C2
InChIInChI=1S/C16H22N6/c1-11(2)7-14-18-8-12-9-22(10-13(12)19-14)16-17-6-5-15(20-16)21(3)4/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyYPLWPTJVWWWVLV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.05
Rot. Bonds4

About N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine

N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine (PubChem CID 56749000) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
PubChem CID56749000
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1nccc(N(C)C)n1)C2
InChIInChI=1S/C16H22N6/c1-11(2)7-14-18-8-12-9-22(10-13(12)19-14)16-17-6-5-15(20-16)21(3)4/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyYPLWPTJVWWWVLV-UHFFFAOYSA-N
XLogP2.05
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine (CID 56749000) is N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine is CC(C)Cc1ncc2c(n1)CN(c1nccc(N(C)C)n1)C2.
What is the InChIKey of N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
The InChIKey is YPLWPTJVWWWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11(2)7-14-18-8-12-9-22(10-13(12)19-14)16-17-6-5-15(20-16)21(3)4/h5-6,8,11H,7,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 56749000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).