N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine

C10H14N6 — CID 99980110

IUPACN'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nc(NCCN)cc(-n2cccn2)n1
InChIInChI=1S/C10H14N6/c1-8-14-9(12-5-3-11)7-10(15-8)16-6-2-4-13-16/h2,4,6-7H,3,5,11H2,1H3,(H,12,14,15)
InChIKeyJPUGQJLKXIICHL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.34
Rot. Bonds4

About N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine

N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 99980110) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID99980110
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nc(NCCN)cc(-n2cccn2)n1
InChIInChI=1S/C10H14N6/c1-8-14-9(12-5-3-11)7-10(15-8)16-6-2-4-13-16/h2,4,6-7H,3,5,11H2,1H3,(H,12,14,15)
InChIKeyJPUGQJLKXIICHL-UHFFFAOYSA-N
XLogP0.34
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 99980110) is N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine is Cc1nc(NCCN)cc(-n2cccn2)n1.
What is the InChIKey of N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is JPUGQJLKXIICHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8-14-9(12-5-3-11)7-10(15-8)16-6-2-4-13-16/h2,4,6-7H,3,5,11H2,1H3,(H,12,14,15).
What are the key properties of N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 99980110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).