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

C14H19N7 — CID 56745442

IUPAC6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(N)nc(N)n1)C2
InChIInChI=1S/C14H19N7/c1-8(2)3-12-17-5-9-6-21(7-10(9)18-12)13-4-11(15)19-14(16)20-13/h4-5,8H,3,6-7H2,1-2H3,(H4,15,16,19,20)
InChIKeyUHTSFHTZDFXNTJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.15
Rot. Bonds3

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

6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine (PubChem CID 56745442) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
PubChem CID56745442
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine
SMILESCC(C)Cc1ncc2c(n1)CN(c1cc(N)nc(N)n1)C2
InChIInChI=1S/C14H19N7/c1-8(2)3-12-17-5-9-6-21(7-10(9)18-12)13-4-11(15)19-14(16)20-13/h4-5,8H,3,6-7H2,1-2H3,(H4,15,16,19,20)
InChIKeyUHTSFHTZDFXNTJ-UHFFFAOYSA-N
XLogP1.15
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-Butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 71519347
N~2~,N~2~,5,6-tetramethyl-N~4~-[2-(2-pyrazinyl)ethyl]-2,4-pyrimidinediamine
CID 39752283
N~4~-[2-(1H-imidazol-4-yl)ethyl]-N~2~,N~2~,5,6-tetramethylpyrimidine-2,4-diamine
CID 50971148
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
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
N4-cyclopropyl-6-(2-ethyl-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)pyrimidine-2,4-diamine
CID 56745634

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine (CID 56745442) is 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine is CC(C)Cc1ncc2c(n1)CN(c1cc(N)nc(N)n1)C2.
What is the InChIKey of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
The InChIKey is UHTSFHTZDFXNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-8(2)3-12-17-5-9-6-21(7-10(9)18-12)13-4-11(15)19-14(16)20-13/h4-5,8H,3,6-7H2,1-2H3,(H4,15,16,19,20).
What are the key properties of 6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine?
6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-2,4-diamine has a molecular weight of 285.36 g/mol, XLogP of 1.15, 3 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]pyrimidine-2,4-diamine is sourced from PubChem (CID 56745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).