N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C13H16N4O — CID 117212327

IUPACN'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1cccc(-c2ncc(NCCN)cn2)c1
InChIInChI=1S/C13H16N4O/c1-18-12-4-2-3-10(7-12)13-16-8-11(9-17-13)15-6-5-14/h2-4,7-9,15H,5-6,14H2,1H3
InChIKeyJLMOGQIYMFAKNQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.52
Rot. Bonds5

About N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212327) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212327
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1cccc(-c2ncc(NCCN)cn2)c1
InChIInChI=1S/C13H16N4O/c1-18-12-4-2-3-10(7-12)13-16-8-11(9-17-13)15-6-5-14/h2-4,7-9,15H,5-6,14H2,1H3
InChIKeyJLMOGQIYMFAKNQ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212348
5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidine
CID 150700013
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394
1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
CID 117231190
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117212327) is N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine is COc1cccc(-c2ncc(NCCN)cn2)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is JLMOGQIYMFAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-12-4-2-3-10(7-12)13-16-8-11(9-17-13)15-6-5-14/h2-4,7-9,15H,5-6,14H2,1H3.
What are the key properties of N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).