ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine

C16H23N3 — CID 143594322

IUPACethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine
SMILESCC.CCCN(c1ccc(C)cc1)c1ncccn1
InChIInChI=1S/C14H17N3.C2H6/c1-3-11-17(14-15-9-4-10-16-14)13-7-5-12(2)6-8-13;1-2/h4-10H,3,11H2,1-2H3;1-2H3
InChIKeyHMVDTQWKQMYMIP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.36
Rot. Bonds4

About ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine

ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine (PubChem CID 143594322) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine
PubChem CID143594322
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Nameethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine
SMILESCC.CCCN(c1ccc(C)cc1)c1ncccn1
InChIInChI=1S/C14H17N3.C2H6/c1-3-11-17(14-15-9-4-10-16-14)13-7-5-12(2)6-8-13;1-2/h4-10H,3,11H2,1-2H3;1-2H3
InChIKeyHMVDTQWKQMYMIP-UHFFFAOYSA-N
XLogP4.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 143251058
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine
CID 118073970
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114
N,4-dimethyl-N-propylaniline
CID 14671247
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-methyl-N-propylpyrimidin-2-amine
CID 67810585
N,N-dipropylpropan-1-amine;toluene
CID 142167047
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N-(4-chlorophenyl)-N-propylpyridin-3-amine
CID 18005242
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 23557767

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine?
The IUPAC name of ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine (CID 143594322) is ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine is CC.CCCN(c1ccc(C)cc1)c1ncccn1.
What is the InChIKey of ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine?
The InChIKey is HMVDTQWKQMYMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.C2H6/c1-3-11-17(14-15-9-4-10-16-14)13-7-5-12(2)6-8-13;1-2/h4-10H,3,11H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine?
ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 143594322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).