N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

C13H14N6 — CID 164612201

IUPACN,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCc1cnn2ncc(-c3ccnc(N(C)C)n3)c2c1
InChIInChI=1S/C13H14N6/c1-9-6-12-10(8-16-19(12)15-7-9)11-4-5-14-13(17-11)18(2)3/h4-8H,1-3H3
InChIKeyOJOHQDKCQQIBQV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.56
Rot. Bonds2

About N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 164612201) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID164612201
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCc1cnn2ncc(-c3ccnc(N(C)C)n3)c2c1
InChIInChI=1S/C13H14N6/c1-9-6-12-10(8-16-19(12)15-7-9)11-4-5-14-13(17-11)18(2)3/h4-8H,1-3H3
InChIKeyOJOHQDKCQQIBQV-UHFFFAOYSA-N
XLogP1.56
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 164612201) is N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is Cc1cnn2ncc(-c3ccnc(N(C)C)n3)c2c1.
What is the InChIKey of N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is OJOHQDKCQQIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-6-12-10(8-16-19(12)15-7-9)11-4-5-14-13(17-11)18(2)3/h4-8H,1-3H3.
What are the key properties of N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 164612201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).