N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine

C13H16N4O — CID 125420725

IUPACN-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cc(CCNc2ccnc(C)n2)ccn1
InChIInChI=1S/C13H16N4O/c1-10-14-8-5-12(17-10)15-6-3-11-4-7-16-13(9-11)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyZGMCAVFDXPSZQI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine

N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 125420725) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID125420725
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cc(CCNc2ccnc(C)n2)ccn1
InChIInChI=1S/C13H16N4O/c1-10-14-8-5-12(17-10)15-6-3-11-4-7-16-13(9-11)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyZGMCAVFDXPSZQI-UHFFFAOYSA-N
XLogP1.84
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 122154444
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
CID 62784368
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
N-[(2-methoxy-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372545
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893834
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine (CID 125420725) is N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine is COc1cc(CCNc2ccnc(C)n2)ccn1.
What is the InChIKey of N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is ZGMCAVFDXPSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-14-8-5-12(17-10)15-6-3-11-4-7-16-13(9-11)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,14,15,17).
What are the key properties of N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 125420725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).