N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine

C14H22N6 — CID 103279515

IUPACN'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCCn1nc(C)c(-c2ccnc(N(C)CCN)n2)c1C
InChIInChI=1S/C14H22N6/c1-5-20-11(3)13(10(2)18-20)12-6-8-16-14(17-12)19(4)9-7-15/h6,8H,5,7,9,15H2,1-4H3
InChIKeyZIPITAWKYJRXNG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.37
Rot. Bonds5

About N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine

N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 103279515) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
PubChem CID103279515
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
SMILESCCn1nc(C)c(-c2ccnc(N(C)CCN)n2)c1C
InChIInChI=1S/C14H22N6/c1-5-20-11(3)13(10(2)18-20)12-6-8-16-14(17-12)19(4)9-7-15/h6,8H,5,7,9,15H2,1-4H3
InChIKeyZIPITAWKYJRXNG-UHFFFAOYSA-N
XLogP1.37
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine (CID 103279515) is N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine is CCn1nc(C)c(-c2ccnc(N(C)CCN)n2)c1C.
What is the InChIKey of N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is ZIPITAWKYJRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-20-11(3)13(10(2)18-20)12-6-8-16-14(17-12)19(4)9-7-15/h6,8H,5,7,9,15H2,1-4H3.
What are the key properties of N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine?
N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).