N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine

C15H20N4O — CID 82191492

IUPACN'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCCOc1ccc(-c2cc(C)nc(NCCN)n2)cc1
InChIInChI=1S/C15H20N4O/c1-3-20-13-6-4-12(5-7-13)14-10-11(2)18-15(19-14)17-9-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyYGRCUJCDKQUJIF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds6

About N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine

N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 82191492) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
PubChem CID82191492
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCCOc1ccc(-c2cc(C)nc(NCCN)n2)cc1
InChIInChI=1S/C15H20N4O/c1-3-20-13-6-4-12(5-7-13)14-10-11(2)18-15(19-14)17-9-8-16/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyYGRCUJCDKQUJIF-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191629
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 82191630
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
CID 116893816
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
N-[2-(4-chlorophenoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78848661
3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192909
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 116894641
4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
CID 116506929
3-[[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192903
6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
CID 135553794
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine (CID 82191492) is N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine is CCOc1ccc(-c2cc(C)nc(NCCN)n2)cc1.
What is the InChIKey of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is YGRCUJCDKQUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-20-13-6-4-12(5-7-13)14-10-11(2)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-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 82191492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).