N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine

C7H12N4 — CID 84649652

IUPACN'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
SMILESCc1ncc(NCCN)cn1
InChIInChI=1S/C7H12N4/c1-6-10-4-7(5-11-6)9-3-2-8/h4-5,9H,2-3,8H2,1H3
InChIKeySCQWEPSQVUOXQM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.16
Rot. Bonds3

About N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine

N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 84649652) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
PubChem CID84649652
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
SMILESCc1ncc(NCCN)cn1
InChIInChI=1S/C7H12N4/c1-6-10-4-7(5-11-6)9-3-2-8/h4-5,9H,2-3,8H2,1H3
InChIKeySCQWEPSQVUOXQM-UHFFFAOYSA-N
XLogP0.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212348
N'-(2-cyclobutylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212308
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
2-[(2-methylpyrimidin-5-yl)amino]acetic acid
CID 84652587
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211279
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
ethane;N'-phenylethane-1,2-diamine
CID 91048519

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine (CID 84649652) is N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine is Cc1ncc(NCCN)cn1.
What is the InChIKey of N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is SCQWEPSQVUOXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-6-10-4-7(5-11-6)9-3-2-8/h4-5,9H,2-3,8H2,1H3.
What are the key properties of N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine?
N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 84649652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).