5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine

C19H25N9O — CID 67294692

IUPAC5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cn3nc(CN4CCNCC4)cc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H25N9O/c20-19-22-10-14(11-23-19)16-13-28-17(18(24-16)27-5-7-29-8-6-27)9-15(25-28)12-26-3-1-21-2-4-26/h9-11,13,21H,1-8,12H2,(H2,20,22,23)
InChIKeyVSOSENMLYGELOJ-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.01
Rot. Bonds4

About 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine

5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine (PubChem CID 67294692) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
PubChem CID67294692
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC Name5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cn3nc(CN4CCNCC4)cc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H25N9O/c20-19-22-10-14(11-23-19)16-13-28-17(18(24-16)27-5-7-29-8-6-27)9-15(25-28)12-26-3-1-21-2-4-26/h9-11,13,21H,1-8,12H2,(H2,20,22,23)
InChIKeyVSOSENMLYGELOJ-UHFFFAOYSA-N
XLogP0.01
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine (CID 67294692) is 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine is Nc1ncc(-c2cn3nc(CN4CCNCC4)cc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
The InChIKey is VSOSENMLYGELOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O/c20-19-22-10-14(11-23-19)16-13-28-17(18(24-16)27-5-7-29-8-6-27)9-15(25-28)12-26-3-1-21-2-4-26/h9-11,13,21H,1-8,12H2,(H2,20,22,23).
What are the key properties of 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine?
5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine has a molecular weight of 395.47 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 67294692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).