N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline

C18H25N3 — CID 62749292

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline
SMILESCc1nccc(CNc2ccc(C(C)C)cc2C(C)C)n1
InChIInChI=1S/C18H25N3/c1-12(2)15-6-7-18(17(10-15)13(3)4)20-11-16-8-9-19-14(5)21-16/h6-10,12-13,20H,11H2,1-5H3
InChIKeyDYHXEUBANGAVGO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.64
Rot. Bonds5

About N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline

N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline (PubChem CID 62749292) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline
PubChem CID62749292
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline
SMILESCc1nccc(CNc2ccc(C(C)C)cc2C(C)C)n1
InChIInChI=1S/C18H25N3/c1-12(2)15-6-7-18(17(10-15)13(3)4)20-11-16-8-9-19-14(5)21-16/h6-10,12-13,20H,11H2,1-5H3
InChIKeyDYHXEUBANGAVGO-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
CID 62759112
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747144
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
CID 107927329
methyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62747332
methyl 3-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62748228
7-[[2,4-di(propan-2-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56808662
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62748402

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline (CID 62749292) is N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline is Cc1nccc(CNc2ccc(C(C)C)cc2C(C)C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline?
The InChIKey is DYHXEUBANGAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12(2)15-6-7-18(17(10-15)13(3)4)20-11-16-8-9-19-14(5)21-16/h6-10,12-13,20H,11H2,1-5H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline?
N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 62749292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).