N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline

C15H13N5 — CID 141307276

IUPACN-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline
SMILESCNc1cccc(-c2nccc(-c3cncnc3)n2)c1
InChIInChI=1S/C15H13N5/c1-16-13-4-2-3-11(7-13)15-19-6-5-14(20-15)12-8-17-10-18-9-12/h2-10,16H,1H3
InChIKeyBZWVRYMRRRDFSJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.64
Rot. Bonds3

About N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline

N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline (PubChem CID 141307276) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline
PubChem CID141307276
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC NameN-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline
SMILESCNc1cccc(-c2nccc(-c3cncnc3)n2)c1
InChIInChI=1S/C15H13N5/c1-16-13-4-2-3-11(7-13)15-19-6-5-14(20-15)12-8-17-10-18-9-12/h2-10,16H,1H3
InChIKeyBZWVRYMRRRDFSJ-UHFFFAOYSA-N
XLogP2.64
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(1,3,5-triazin-2-yl)aniline
CID 82468537
3-[4,6-bis[3-(methylamino)phenyl]pyrimidin-2-yl]aniline
CID 143239907
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
CID 82469493
N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
CID 134593476
3-(5-ethoxy-3-pyridinyl)-N-methylaniline
CID 106505817
3-[4-(4-methylphenyl)pyrimidin-2-yl]aniline
CID 116898999
3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
CID 143239836
2,4-diphenylpyrimidine;yttrium
CID 59738567
6-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 174714950
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 129084345

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline?
The IUPAC name of N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline (CID 141307276) is N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline.
What is the SMILES notation for N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline?
The canonical SMILES for N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline is CNc1cccc(-c2nccc(-c3cncnc3)n2)c1.
What is the InChIKey of N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline?
The InChIKey is BZWVRYMRRRDFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-16-13-4-2-3-11(7-13)15-19-6-5-14(20-15)12-8-17-10-18-9-12/h2-10,16H,1H3.
What are the key properties of N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline?
N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline has a molecular weight of 263.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyrimidin-5-ylpyrimidin-2-yl)aniline is sourced from PubChem (CID 141307276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).