2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine

C16H27N5 — CID 70713175

IUPAC2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine
SMILESCCCC(CNc1cc(C(C)C)nc2ccnn12)N(C)C
InChIInChI=1S/C16H27N5/c1-6-7-13(20(4)5)11-17-16-10-14(12(2)3)19-15-8-9-18-21(15)16/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeyGSLOFFVUBKJJJC-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.99
Rot. Bonds7

About 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine

2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine (PubChem CID 70713175) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine
PubChem CID70713175
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine
SMILESCCCC(CNc1cc(C(C)C)nc2ccnn12)N(C)C
InChIInChI=1S/C16H27N5/c1-6-7-13(20(4)5)11-17-16-10-14(12(2)3)19-15-8-9-18-21(15)16/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeyGSLOFFVUBKJJJC-UHFFFAOYSA-N
XLogP2.99
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine (CID 70713175) is 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine is CCCC(CNc1cc(C(C)C)nc2ccnn12)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine?
The InChIKey is GSLOFFVUBKJJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-7-13(20(4)5)11-17-16-10-14(12(2)3)19-15-8-9-18-21(15)16/h8-10,12-13,17H,6-7,11H2,1-5H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pentane-1,2-diamine is sourced from PubChem (CID 70713175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).