6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine

C17H26N4 — CID 80986953

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1N1CCC2CCCCC2C1
InChIInChI=1S/C17H26N4/c1-11-15(18)19-16(13-6-7-13)20-17(11)21-9-8-12-4-2-3-5-14(12)10-21/h12-14H,2-10H2,1H3,(H2,18,19,20)
InChIKeyFXHVHRDETSGXHR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.26
Rot. Bonds2

About 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80986953) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80986953
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1N1CCC2CCCCC2C1
InChIInChI=1S/C17H26N4/c1-11-15(18)19-16(13-6-7-13)20-17(11)21-9-8-12-4-2-3-5-14(12)10-21/h12-14H,2-10H2,1H3,(H2,18,19,20)
InChIKeyFXHVHRDETSGXHR-UHFFFAOYSA-N
XLogP3.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 102971605
2-cyclopropyl-6-(2,6-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80980602
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563143
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63729947
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methyl-1H-imidazol-5-amine
CID 55011902
2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80993174
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217737
4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80991689
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
2-cyclopropyl-6-(2,5-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80992549
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61255839

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80986953) is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1N1CCC2CCCCC2C1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is FXHVHRDETSGXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-11-15(18)19-16(13-6-7-13)20-17(11)21-9-8-12-4-2-3-5-14(12)10-21/h12-14H,2-10H2,1H3,(H2,18,19,20).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80986953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).