1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine

C13H17N5 — CID 122096061

IUPAC1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1cnn2ccccc12
InChIInChI=1S/C13H17N5/c1-17-7-4-6-14-13(17)15-9-11-10-16-18-8-3-2-5-12(11)18/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,14,15)
InChIKeyXHXYSURNWVXETQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.12
Rot. Bonds2

About 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122096061) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122096061
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1cnn2ccccc12
InChIInChI=1S/C13H17N5/c1-17-7-4-6-14-13(17)15-9-11-10-16-18-8-3-2-5-12(11)18/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,14,15)
InChIKeyXHXYSURNWVXETQ-UHFFFAOYSA-N
XLogP1.12
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 122096061) is 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCc1cnn2ccccc12.
What is the InChIKey of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is XHXYSURNWVXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-7-4-6-14-13(17)15-9-11-10-16-18-8-3-2-5-12(11)18/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122096061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).