2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine

C13H20N6 — CID 80934571

IUPAC2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC(C)Cn2cccn2)n1
InChIInChI=1S/C13H20N6/c1-4-11-17-12(14-3)8-13(18-11)16-10(2)9-19-7-5-6-15-19/h5-8,10H,4,9H2,1-3H3,(H2,14,16,17,18)
InChIKeyIVGANIUSIMYPJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds6

About 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80934571) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80934571
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC(C)Cn2cccn2)n1
InChIInChI=1S/C13H20N6/c1-4-11-17-12(14-3)8-13(18-11)16-10(2)9-19-7-5-6-15-19/h5-8,10H,4,9H2,1-3H3,(H2,14,16,17,18)
InChIKeyIVGANIUSIMYPJX-UHFFFAOYSA-N
XLogP1.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809780
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
6-N-ethyl-2-N-(1-pyrazol-1-ylpropan-2-yl)pyrazine-2,6-diamine
CID 78990628
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80933955
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80934571) is 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(NC(C)Cn2cccn2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is IVGANIUSIMYPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-11-17-12(14-3)8-13(18-11)16-10(2)9-19-7-5-6-15-19/h5-8,10H,4,9H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).