N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine

C19H24N6 — CID 138053057

IUPACN-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1ncc2c(n1)CCC(Nc1nccn3nc(C(C)(C)C)cc13)C2
InChIInChI=1S/C19H24N6/c1-12-21-11-13-9-14(5-6-15(13)22-12)23-18-16-10-17(19(2,3)4)24-25(16)8-7-20-18/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,20,23)
InChIKeyDPWXKAOGSLMGJE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.09
Rot. Bonds2

About N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine

N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 138053057) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound NameN-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID138053057
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1ncc2c(n1)CCC(Nc1nccn3nc(C(C)(C)C)cc13)C2
InChIInChI=1S/C19H24N6/c1-12-21-11-13-9-14(5-6-15(13)22-12)23-18-16-10-17(19(2,3)4)24-25(16)8-7-20-18/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,20,23)
InChIKeyDPWXKAOGSLMGJE-UHFFFAOYSA-N
XLogP3.09
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine (CID 138053057) is N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine is Cc1ncc2c(n1)CCC(Nc1nccn3nc(C(C)(C)C)cc13)C2.
What is the InChIKey of N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is DPWXKAOGSLMGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-12-21-11-13-9-14(5-6-15(13)22-12)23-18-16-10-17(19(2,3)4)24-25(16)8-7-20-18/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,20,23).
What are the key properties of N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine?
N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 138053057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).