N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine

C15H20N4 — CID 103278885

IUPACN'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCCc1ccc(-c2nc(NCCN)ncc2C)cc1
InChIInChI=1S/C15H20N4/c1-3-12-4-6-13(7-5-12)14-11(2)10-18-15(19-14)17-9-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyWSPXBEGSOGCNGW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.39
Rot. Bonds5

About N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine

N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 103278885) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine
PubChem CID103278885
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCCc1ccc(-c2nc(NCCN)ncc2C)cc1
InChIInChI=1S/C15H20N4/c1-3-12-4-6-13(7-5-12)14-11(2)10-18-15(19-14)17-9-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyWSPXBEGSOGCNGW-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine (CID 103278885) is N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine is CCc1ccc(-c2nc(NCCN)ncc2C)cc1.
What is the InChIKey of N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is WSPXBEGSOGCNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-12-4-6-13(7-5-12)14-11(2)10-18-15(19-14)17-9-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-ethylphenyl)-5-methylpyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 103278885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).