N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H25N5O — CID 119667120

IUPACN-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1c(C)nn2c(C)cc(C)nc12
InChIInChI=1S/C16H25N5O/c1-5-6-7-13(9-17)19-16(22)14-12(4)20-21-11(3)8-10(2)18-15(14)21/h8,13H,5-7,9,17H2,1-4H3,(H,19,22)
InChIKeyXYOFPYCBSVVNOT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.90
Rot. Bonds6

About N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 119667120) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID119667120
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1c(C)nn2c(C)cc(C)nc12
InChIInChI=1S/C16H25N5O/c1-5-6-7-13(9-17)19-16(22)14-12(4)20-21-11(3)8-10(2)18-15(14)21/h8,13H,5-7,9,17H2,1-4H3,(H,19,22)
InChIKeyXYOFPYCBSVVNOT-UHFFFAOYSA-N
XLogP1.90
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 119667120) is N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCC(CN)NC(=O)c1c(C)nn2c(C)cc(C)nc12.
What is the InChIKey of N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XYOFPYCBSVVNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-6-7-13(9-17)19-16(22)14-12(4)20-21-11(3)8-10(2)18-15(14)21/h8,13H,5-7,9,17H2,1-4H3,(H,19,22).
What are the key properties of N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119667120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).