4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

C13H16N4O — CID 78929848

IUPAC4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCOc1ccccc1CN(C)c1cc(N)ncn1
InChIInChI=1S/C13H16N4O/c1-17(13-7-12(14)15-9-16-13)8-10-5-3-4-6-11(10)18-2/h3-7,9H,8H2,1-2H3,(H2,14,15,16)
InChIKeyMFRKYMYBBSTULA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.70
Rot. Bonds4

About 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine

4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine (PubChem CID 78929848) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
PubChem CID78929848
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
SMILESCOc1ccccc1CN(C)c1cc(N)ncn1
InChIInChI=1S/C13H16N4O/c1-17(13-7-12(14)15-9-16-13)8-10-5-3-4-6-11(10)18-2/h3-7,9H,8H2,1-2H3,(H2,14,15,16)
InChIKeyMFRKYMYBBSTULA-UHFFFAOYSA-N
XLogP1.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80899995
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418221
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
N-(furan-2-ylmethyl)-6-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 3233622
5-(ethylaminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 62294445
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine (CID 78929848) is 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine is COc1ccccc1CN(C)c1cc(N)ncn1.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is MFRKYMYBBSTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(13-7-12(14)15-9-16-13)8-10-5-3-4-6-11(10)18-2/h3-7,9H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine?
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 78929848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).