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

C11H18N6 — CID 67449198

IUPAC2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine
SMILESCCC1=C(N)NC(CC)(n2cccn2)N=C1N
InChIInChI=1S/C11H18N6/c1-3-8-9(12)15-11(4-2,16-10(8)13)17-7-5-6-14-17/h5-7,15H,3-4,12H2,1-2H3,(H2,13,16)
InChIKeyKULDAGLTAPURNK-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.44
Rot. Bonds3

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

2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine (PubChem CID 67449198) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine
PubChem CID67449198
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine
SMILESCCC1=C(N)NC(CC)(n2cccn2)N=C1N
InChIInChI=1S/C11H18N6/c1-3-8-9(12)15-11(4-2,16-10(8)13)17-7-5-6-14-17/h5-7,15H,3-4,12H2,1-2H3,(H2,13,16)
InChIKeyKULDAGLTAPURNK-UHFFFAOYSA-N
XLogP0.44
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine?
The IUPAC name of 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine (CID 67449198) is 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine is CCC1=C(N)NC(CC)(n2cccn2)N=C1N.
What is the InChIKey of 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine?
The InChIKey is KULDAGLTAPURNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-8-9(12)15-11(4-2,16-10(8)13)17-7-5-6-14-17/h5-7,15H,3-4,12H2,1-2H3,(H2,13,16).
What are the key properties of 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine?
2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine has a molecular weight of 234.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-2-pyrazol-1-yl-1H-pyrimidine-4,6-diamine is sourced from PubChem (CID 67449198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).