5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine

C16H28N6 — CID 68952459

IUPAC5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine
SMILESCCC(C)C1=C(C)N(N)C(n2cccn2)N=C1N(CC)CC
InChIInChI=1S/C16H28N6/c1-6-12(4)14-13(5)22(17)16(21-11-9-10-18-21)19-15(14)20(7-2)8-3/h9-12,16H,6-8,17H2,1-5H3
InChIKeyIIEFZBCKNJSBCK-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.59
Rot. Bonds5

About 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine

5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine (PubChem CID 68952459) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine.

Molecular Properties

Compound Name5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine
PubChem CID68952459
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine
SMILESCCC(C)C1=C(C)N(N)C(n2cccn2)N=C1N(CC)CC
InChIInChI=1S/C16H28N6/c1-6-12(4)14-13(5)22(17)16(21-11-9-10-18-21)19-15(14)20(7-2)8-3/h9-12,16H,6-8,17H2,1-5H3
InChIKeyIIEFZBCKNJSBCK-UHFFFAOYSA-N
XLogP2.59
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine?
The IUPAC name of 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine (CID 68952459) is 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine.
What is the SMILES notation for 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine?
The canonical SMILES for 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine is CCC(C)C1=C(C)N(N)C(n2cccn2)N=C1N(CC)CC.
What is the InChIKey of 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine?
The InChIKey is IIEFZBCKNJSBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-6-12(4)14-13(5)22(17)16(21-11-9-10-18-21)19-15(14)20(7-2)8-3/h9-12,16H,6-8,17H2,1-5H3.
What are the key properties of 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine?
5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-N,4-N-diethyl-6-methyl-2-pyrazol-1-yl-2H-pyrimidine-1,4-diamine is sourced from PubChem (CID 68952459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).