6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine

C12H18N4 — CID 83849317

IUPAC6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2c(n1)CN(C1CC1)C2
InChIInChI=1S/C12H18N4/c1-7(2)12-14-10-6-16(8-3-4-8)5-9(10)11(13)15-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyATCMGYGULWAKDC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds2

About 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine

6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 83849317) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID83849317
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2c(n1)CN(C1CC1)C2
InChIInChI=1S/C12H18N4/c1-7(2)12-14-10-6-16(8-3-4-8)5-9(10)11(13)15-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyATCMGYGULWAKDC-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 127050018
1-(2,4-Diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 267677
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 267678
Pyrimidine, 2-amino-4-diethylaminoethylamino-5,6-dimethyl-
CID 85917032
(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine
CID 97117039
4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine
CID 97122056
2,5,6-trimethyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 129615886
5,6-dimethyl-N-[(3S)-3-piperidinyl]-2-(1-pyrrolidinyl)-4-pyrimidinamine dihydrochloride
CID 135100759
4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 134410675
6-(2,2,2-Trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 140811183
2-tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-7H-pyrrolo[3,4-d]pyrimidine
CID 157913455

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (CID 83849317) is 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is CC(C)c1nc(N)c2c(n1)CN(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ATCMGYGULWAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7(2)12-14-10-6-16(8-3-4-8)5-9(10)11(13)15-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83849317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).