[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine

C13H15N3 — CID 82471015

IUPAC[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
SMILESCc1ccc(C)c(-c2ccnc(CN)n2)c1
InChIInChI=1S/C13H15N3/c1-9-3-4-10(2)11(7-9)12-5-6-15-13(8-14)16-12/h3-7H,8,14H2,1-2H3
InChIKeyCIFFFHVSSZIOTA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.22
Rot. Bonds2

About [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine

[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine (PubChem CID 82471015) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
PubChem CID82471015
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
SMILESCc1ccc(C)c(-c2ccnc(CN)n2)c1
InChIInChI=1S/C13H15N3/c1-9-3-4-10(2)11(7-9)12-5-6-15-13(8-14)16-12/h3-7H,8,14H2,1-2H3
InChIKeyCIFFFHVSSZIOTA-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
CID 116901184
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
CID 82482950
[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899155
[4-(2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82473895
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899554
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
CID 116902104
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 116897730
1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901561
1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278628

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine (CID 82471015) is [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine is Cc1ccc(C)c(-c2ccnc(CN)n2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine?
The InChIKey is CIFFFHVSSZIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-3-4-10(2)11(7-9)12-5-6-15-13(8-14)16-12/h3-7H,8,14H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine?
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 82471015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).