6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine

C14H22N4 — CID 102729101

IUPAC6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H]3CCCC[C@H]32)ncn1
InChIInChI=1S/C14H22N4/c1-15-13-9-14(17-10-16-13)18-8-4-6-11-5-2-3-7-12(11)18/h9-12H,2-8H2,1H3,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyTXANIVCLSGHITR-VXGBXAGGSA-N
MW246.36 g/mol
LogP2.68
Rot. Bonds2

About 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 102729101) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID102729101
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H]3CCCC[C@H]32)ncn1
InChIInChI=1S/C14H22N4/c1-15-13-9-14(17-10-16-13)18-8-4-6-11-5-2-3-7-12(11)18/h9-12H,2-8H2,1H3,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyTXANIVCLSGHITR-VXGBXAGGSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

6-(2,3-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80821891
6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80819254
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
(4aR,8aS)-1-(6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129367185
6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80819682
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
CID 80843359
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
6-[(2S)-2-[(4-bromophenoxy)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 166382446

Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine (CID 102729101) is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCC[C@H]3CCCC[C@H]32)ncn1.
What is the InChIKey of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is TXANIVCLSGHITR-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4/c1-15-13-9-14(17-10-16-13)18-8-4-6-11-5-2-3-7-12(11)18/h9-12H,2-8H2,1H3,(H,15,16,17)/t11-,12-/m1/s1.
What are the key properties of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine?
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 102729101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).