N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine

C13H16N4O — CID 117224527

IUPACN'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1ccccc1Oc1cnc(NCCN)nc1
InChIInChI=1S/C13H16N4O/c1-10-4-2-3-5-12(10)18-11-8-16-13(17-9-11)15-7-6-14/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyNYGCAIMAQUCDDD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.95
Rot. Bonds5

About N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine

N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 117224527) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID117224527
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1ccccc1Oc1cnc(NCCN)nc1
InChIInChI=1S/C13H16N4O/c1-10-4-2-3-5-12(10)18-11-8-16-13(17-9-11)15-7-6-14/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyNYGCAIMAQUCDDD-UHFFFAOYSA-N
XLogP1.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224521
N'-[5-(2-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 117224164
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
N'-[5-(3-chlorophenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224550
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
N'-(3-methyl-5-phenylmethoxy-2-pyridinyl)ethane-1,2-diamine
CID 129055748
N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 117224131
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
N'-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212501

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine (CID 117224527) is N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine is Cc1ccccc1Oc1cnc(NCCN)nc1.
What is the InChIKey of N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is NYGCAIMAQUCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-4-2-3-5-12(10)18-11-8-16-13(17-9-11)15-7-6-14/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2-methylphenoxy)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 117224527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).