6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine

C18H24N4O — CID 56710013

IUPAC6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc2c(c1)CCCC2Nc1cc(CCN)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-12-20-14(8-9-19)11-18(21-12)22-17-5-3-4-13-10-15(23-2)6-7-16(13)17/h6-7,10-11,17H,3-5,8-9,19H2,1-2H3,(H,20,21,22)
InChIKeyXTVBJJFZYARXDP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.78
Rot. Bonds5

About 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine

6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 56710013) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine
PubChem CID56710013
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc2c(c1)CCCC2Nc1cc(CCN)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-12-20-14(8-9-19)11-18(21-12)22-17-5-3-4-13-10-15(23-2)6-7-16(13)17/h6-7,10-11,17H,3-5,8-9,19H2,1-2H3,(H,20,21,22)
InChIKeyXTVBJJFZYARXDP-UHFFFAOYSA-N
XLogP2.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650350
6-(2-chloro-5-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123999726
N-(4-fluoro-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62810888
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine (CID 56710013) is 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine is COc1ccc2c(c1)CCCC2Nc1cc(CCN)nc(C)n1.
What is the InChIKey of 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is XTVBJJFZYARXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-20-14(8-9-19)11-18(21-12)22-17-5-3-4-13-10-15(23-2)6-7-16(13)17/h6-7,10-11,17H,3-5,8-9,19H2,1-2H3,(H,20,21,22).
What are the key properties of 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine?
6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 56710013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).