3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

C20H28N6 — CID 11291132

IUPAC3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ncc(N)cc3C)c(C)nn12
InChIInChI=1S/C20H28N6/c1-6-8-25(9-7-2)17-11-14(4)23-20-18(15(5)24-26(17)20)19-13(3)10-16(21)12-22-19/h10-12H,6-9,21H2,1-5H3
InChIKeyMBANSLYUPGYBGU-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.93
Rot. Bonds6

About 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11291132) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11291132
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ncc(N)cc3C)c(C)nn12
InChIInChI=1S/C20H28N6/c1-6-8-25(9-7-2)17-11-14(4)23-20-18(15(5)24-26(17)20)19-13(3)10-16(21)12-22-19/h10-12H,6-9,21H2,1-5H3
InChIKeyMBANSLYUPGYBGU-UHFFFAOYSA-N
XLogP3.93
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11291132) is 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1cc(C)nc2c(-c3ncc(N)cc3C)c(C)nn12.
What is the InChIKey of 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MBANSLYUPGYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-6-8-25(9-7-2)17-11-14(4)23-20-18(15(5)24-26(17)20)19-13(3)10-16(21)12-22-19/h10-12H,6-9,21H2,1-5H3.
What are the key properties of 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-2-pyridinyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11291132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).