3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine

C13H19N5 — CID 62760482

IUPAC3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cncnc1
InChIInChI=1S/C13H19N5/c1-9(2)18-11(4)13(10(3)17-18)16-7-12-5-14-8-15-6-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyMMLYIXFHAWPMMR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds4

About 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine

3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine (PubChem CID 62760482) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
PubChem CID62760482
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cncnc1
InChIInChI=1S/C13H19N5/c1-9(2)18-11(4)13(10(3)17-18)16-7-12-5-14-8-15-6-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyMMLYIXFHAWPMMR-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine (CID 62760482) is 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NCc1cncnc1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
The InChIKey is MMLYIXFHAWPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)18-11(4)13(10(3)17-18)16-7-12-5-14-8-15-6-12/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62760482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).