5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine

C14H23N5 — CID 81205894

IUPAC5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H23N5/c1-10-8-16-14(15)17-13(10)19-7-5-12-11(9-19)4-3-6-18(12)2/h8,11-12H,3-7,9H2,1-2H3,(H2,15,16,17)
InChIKeyXMDKDZLCIHDFGZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds1

About 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine

5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine (PubChem CID 81205894) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine
PubChem CID81205894
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H23N5/c1-10-8-16-14(15)17-13(10)19-7-5-12-11(9-19)4-3-6-18(12)2/h8,11-12H,3-7,9H2,1-2H3,(H2,15,16,17)
InChIKeyXMDKDZLCIHDFGZ-UHFFFAOYSA-N
XLogP1.29
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
CID 81199999
5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
CID 81448030
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
CID 81198315
N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
CID 81200310
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
CID 81197311
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727
6-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199802
5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
CID 80798047
(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 18596266
[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80757639
6-(3,6-dichloro-1,2,4-triazin-5-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200530
4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80800020

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine (CID 81205894) is 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine is Cc1cnc(N)nc1N1CCC2C(CCCN2C)C1.
What is the InChIKey of 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine?
The InChIKey is XMDKDZLCIHDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-8-16-14(15)17-13(10)19-7-5-12-11(9-19)4-3-6-18(12)2/h8,11-12H,3-7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine?
5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 81205894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).