N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine

C10H14N6 — CID 115320119

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCCn2cc(N)cn2)nc1
InChIInChI=1S/C10H14N6/c1-8-4-13-10(14-5-8)12-2-3-16-7-9(11)6-15-16/h4-7H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyDAKGXPVGMFTGGJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.68
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine (PubChem CID 115320119) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine
PubChem CID115320119
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCCn2cc(N)cn2)nc1
InChIInChI=1S/C10H14N6/c1-8-4-13-10(14-5-8)12-2-3-16-7-9(11)6-15-16/h4-7H,2-3,11H2,1H3,(H,12,13,14)
InChIKeyDAKGXPVGMFTGGJ-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine (CID 115320119) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCCn2cc(N)cn2)nc1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine?
The InChIKey is DAKGXPVGMFTGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8-4-13-10(14-5-8)12-2-3-16-7-9(11)6-15-16/h4-7H,2-3,11H2,1H3,(H,12,13,14).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 115320119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).