2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline

C17H23N3 — CID 62759112

IUPAC2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
SMILESCC(C)c1ccc(NCc2ccncn2)c(C(C)C)c1
InChIInChI=1S/C17H23N3/c1-12(2)14-5-6-17(16(9-14)13(3)4)19-10-15-7-8-18-11-20-15/h5-9,11-13,19H,10H2,1-4H3
InChIKeyXXMLSWAMFZPTRV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.34
Rot. Bonds5

About 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline

2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline (PubChem CID 62759112) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
PubChem CID62759112
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
SMILESCC(C)c1ccc(NCc2ccncn2)c(C(C)C)c1
InChIInChI=1S/C17H23N3/c1-12(2)14-5-6-17(16(9-14)13(3)4)19-10-15-7-8-18-11-20-15/h5-9,11-13,19H,10H2,1-4H3
InChIKeyXXMLSWAMFZPTRV-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 62749292
2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
CID 62759682
methyl 5-methyl-2-(pyrimidin-4-ylmethylamino)benzoate
CID 62760608
2-bromo-5-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 82762182
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
5-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62749598
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693574
N-[(5-chlorothiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693536
2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136750493
2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
CID 66385138
7-[[2,4-di(propan-2-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56808662

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline?
The IUPAC name of 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline (CID 62759112) is 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline?
The canonical SMILES for 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline is CC(C)c1ccc(NCc2ccncn2)c(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline?
The InChIKey is XXMLSWAMFZPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)14-5-6-17(16(9-14)13(3)4)19-10-15-7-8-18-11-20-15/h5-9,11-13,19H,10H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline?
2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline is sourced from PubChem (CID 62759112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).