2-[(3-methylanilino)methyl]pyrimidin-4-amine

C12H14N4 — CID 105467878

IUPAC2-[(3-methylanilino)methyl]pyrimidin-4-amine
SMILESCc1cccc(NCc2nccc(N)n2)c1
InChIInChI=1S/C12H14N4/c1-9-3-2-4-10(7-9)15-8-12-14-6-5-11(13)16-12/h2-7,15H,8H2,1H3,(H2,13,14,16)
InChIKeySNYRLDMKVXEXMW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About 2-[(3-methylanilino)methyl]pyrimidin-4-amine

2-[(3-methylanilino)methyl]pyrimidin-4-amine (PubChem CID 105467878) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(3-methylanilino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methylanilino)methyl]pyrimidin-4-amine
PubChem CID105467878
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-[(3-methylanilino)methyl]pyrimidin-4-amine
SMILESCc1cccc(NCc2nccc(N)n2)c1
InChIInChI=1S/C12H14N4/c1-9-3-2-4-10(7-9)15-8-12-14-6-5-11(13)16-12/h2-7,15H,8H2,1H3,(H2,13,14,16)
InChIKeySNYRLDMKVXEXMW-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 115671114
2-[(3-ethylpentan-3-ylamino)methyl]pyrimidin-4-amine
CID 136517017
N-[(4-aminopyrimidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 133367223
N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline
CID 105484928
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898543
N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 167754933

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylanilino)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methylanilino)methyl]pyrimidin-4-amine (CID 105467878) is 2-[(3-methylanilino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methylanilino)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methylanilino)methyl]pyrimidin-4-amine is Cc1cccc(NCc2nccc(N)n2)c1.
What is the InChIKey of 2-[(3-methylanilino)methyl]pyrimidin-4-amine?
The InChIKey is SNYRLDMKVXEXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-3-2-4-10(7-9)15-8-12-14-6-5-11(13)16-12/h2-7,15H,8H2,1H3,(H2,13,14,16).
What are the key properties of 2-[(3-methylanilino)methyl]pyrimidin-4-amine?
2-[(3-methylanilino)methyl]pyrimidin-4-amine has a molecular weight of 214.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylanilino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 105467878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).