6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

C22H31ClN6 — CID 11235365

IUPAC6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1c(Cl)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C22H31ClN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3
InChIKeyXTUKDBHHGVEPLG-UHFFFAOYSA-N
MW414.99 g/mol
LogP5.06
Rot. Bonds7

About 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11235365) has the molecular formula C22H31ClN6 and a molecular weight of 414.99 g/mol. Its IUPAC name is 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11235365
Molecular FormulaC22H31ClN6
Molecular Weight414.99 g/mol
Exact Mass414.23
IUPAC Name6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1c(Cl)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12
InChIInChI=1S/C22H31ClN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3
InChIKeyXTUKDBHHGVEPLG-UHFFFAOYSA-N
XLogP5.06
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.99
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11235365) is 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1c(Cl)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12.
What is the InChIKey of 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XTUKDBHHGVEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN6/c1-8-10-28(11-9-2)22-20(23)16(5)25-21-19(15(4)26-29(21)22)17-13-24-18(27(6)7)12-14(17)3/h12-13H,8-11H2,1-7H3.
What are the key properties of 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 414.99 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11235365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).