1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine

C21H31N7O — CID 45484992

IUPAC1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1cnc(N(C)C)cc1C
InChIInChI=1S/C21H31N7O/c1-8-9-27(10-11-29-7)20-19-15(3)25-28(21(19)24-16(4)23-20)17-13-22-18(26(5)6)12-14(17)2/h12-13H,8-11H2,1-7H3
InChIKeyQOIPROZKQKARQO-UHFFFAOYSA-N
MW397.53 g/mol
LogP3.06
Rot. Bonds8

About 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine

1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 45484992) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID45484992
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC Name1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1cnc(N(C)C)cc1C
InChIInChI=1S/C21H31N7O/c1-8-9-27(10-11-29-7)20-19-15(3)25-28(21(19)24-16(4)23-20)17-13-22-18(26(5)6)12-14(17)2/h12-13H,8-11H2,1-7H3
InChIKeyQOIPROZKQKARQO-UHFFFAOYSA-N
XLogP3.06
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine (CID 45484992) is 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is CCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1cnc(N(C)C)cc1C.
What is the InChIKey of 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QOIPROZKQKARQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O/c1-8-9-27(10-11-29-7)20-19-15(3)25-28(21(19)24-16(4)23-20)17-13-22-18(26(5)6)12-14(17)2/h12-13H,8-11H2,1-7H3.
What are the key properties of 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine?
1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 397.53 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-(2-methoxyethyl)-3,6-dimethyl-N-propylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45484992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).