N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine

C15H20N4 — CID 116977265

IUPACN'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(-c2cnc(N(C)CCN)nc2)cc1
InChIInChI=1S/C15H20N4/c1-3-12-4-6-13(7-5-12)14-10-17-15(18-11-14)19(2)9-8-16/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyYECGWBOHGYANQI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.10
Rot. Bonds5

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

N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 116977265) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
PubChem CID116977265
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(-c2cnc(N(C)CCN)nc2)cc1
InChIInChI=1S/C15H20N4/c1-3-12-4-6-13(7-5-12)14-10-17-15(18-11-14)19(2)9-8-16/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyYECGWBOHGYANQI-UHFFFAOYSA-N
XLogP2.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine (CID 116977265) is N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine is CCc1ccc(-c2cnc(N(C)CCN)nc2)cc1.
What is the InChIKey of N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is YECGWBOHGYANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-12-4-6-13(7-5-12)14-10-17-15(18-11-14)19(2)9-8-16/h4-7,10-11H,3,8-9,16H2,1-2H3.
What are the key properties of N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 116977265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).