N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine

C12H16N6 — CID 97404947

IUPACN-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCN1CCc2c(CNc3ncccn3)n[nH]c2C1
InChIInChI=1S/C12H16N6/c1-18-6-3-9-10(16-17-11(9)8-18)7-15-12-13-4-2-5-14-12/h2,4-5H,3,6-8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNBHKCKHTEMKUEU-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.80
Rot. Bonds3

About N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine

N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 97404947) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
PubChem CID97404947
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
SMILESCN1CCc2c(CNc3ncccn3)n[nH]c2C1
InChIInChI=1S/C12H16N6/c1-18-6-3-9-10(16-17-11(9)8-18)7-15-12-13-4-2-5-14-12/h2,4-5H,3,6-8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyNBHKCKHTEMKUEU-UHFFFAOYSA-N
XLogP0.80
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine (CID 97404947) is N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is CN1CCc2c(CNc3ncccn3)n[nH]c2C1.
What is the InChIKey of N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is NBHKCKHTEMKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-18-6-3-9-10(16-17-11(9)8-18)7-15-12-13-4-2-5-14-12/h2,4-5H,3,6-8H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine?
N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 97404947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).