4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine

C12H18N6 — CID 39782655

IUPAC4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCCn2cccn2)nc(N)n1
InChIInChI=1S/C12H18N6/c1-10-9-11(16-12(13)15-10)17(2)6-4-8-18-7-3-5-14-18/h3,5,7,9H,4,6,8H2,1-2H3,(H2,13,15,16)
InChIKeyXXPGBIFGUFQKSP-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.09
Rot. Bonds5

About 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 39782655) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
PubChem CID39782655
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCCn2cccn2)nc(N)n1
InChIInChI=1S/C12H18N6/c1-10-9-11(16-12(13)15-10)17(2)6-4-8-18-7-3-5-14-18/h3,5,7,9H,4,6,8H2,1-2H3,(H2,13,15,16)
InChIKeyXXPGBIFGUFQKSP-UHFFFAOYSA-N
XLogP1.09
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine (CID 39782655) is 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine is Cc1cc(N(C)CCCn2cccn2)nc(N)n1.
What is the InChIKey of 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is XXPGBIFGUFQKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-10-9-11(16-12(13)15-10)17(2)6-4-8-18-7-3-5-14-18/h3,5,7,9H,4,6,8H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 39782655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).