6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H19ClN8 — CID 58853475

IUPAC6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCCN(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1
InChIInChI=1S/C15H19ClN8/c1-21-4-3-5-23(9-21)15-12(16)13(17)24-14(20-15)11(7-19-24)10-6-18-22(2)8-10/h6-8H,3-5,9,17H2,1-2H3
InChIKeyBOYVGMKVZOOERN-UHFFFAOYSA-N
MW346.83 g/mol
LogP1.46
Rot. Bonds2

About 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58853475) has the molecular formula C15H19ClN8 and a molecular weight of 346.83 g/mol. Its IUPAC name is 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58853475
Molecular FormulaC15H19ClN8
Molecular Weight346.83 g/mol
Exact Mass346.14
IUPAC Name6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CCCN(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1
InChIInChI=1S/C15H19ClN8/c1-21-4-3-5-23(9-21)15-12(16)13(17)24-14(20-15)11(7-19-24)10-6-18-22(2)8-10/h6-8H,3-5,9,17H2,1-2H3
InChIKeyBOYVGMKVZOOERN-UHFFFAOYSA-N
XLogP1.46
TPSA80.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58853475) is 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CN1CCCN(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.
What is the InChIKey of 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BOYVGMKVZOOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN8/c1-21-4-3-5-23(9-21)15-12(16)13(17)24-14(20-15)11(7-19-24)10-6-18-22(2)8-10/h6-8H,3-5,9,17H2,1-2H3.
What are the key properties of 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.83 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58853475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).