4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine

C13H16N4O — CID 107541879

IUPAC4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCOc1cccc(N(C)c2nccc(CN)n2)c1
InChIInChI=1S/C13H16N4O/c1-17(11-4-3-5-12(8-11)18-2)13-15-7-6-10(9-14)16-13/h3-8H,9,14H2,1-2H3
InChIKeyQQJXTIOJPKHBIV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.71
Rot. Bonds4

About 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine

4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine (PubChem CID 107541879) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
PubChem CID107541879
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCOc1cccc(N(C)c2nccc(CN)n2)c1
InChIInChI=1S/C13H16N4O/c1-17(11-4-3-5-12(8-11)18-2)13-15-7-6-10(9-14)16-13/h3-8H,9,14H2,1-2H3
InChIKeyQQJXTIOJPKHBIV-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-(3-methoxyphenyl)-N,6-dimethylpyrimidin-2-amine
CID 114220031
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 62858681
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 62863477
5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766655
4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
CID 62935538
3-methoxy-N,N-disilylaniline
CID 149149494
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766654
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine (CID 107541879) is 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine is COc1cccc(N(C)c2nccc(CN)n2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is QQJXTIOJPKHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(11-4-3-5-12(8-11)18-2)13-15-7-6-10(9-14)16-13/h3-8H,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine?
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 107541879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).