5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H21N7 — CID 163315348

IUPAC5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NCc2ncc3c(n2)CCN(C)C3)c1C
InChIInChI=1S/C17H21N7/c1-11-12(2)21-16-4-6-20-24(16)17(11)19-9-15-18-8-13-10-23(3)7-5-14(13)22-15/h4,6,8,19H,5,7,9-10H2,1-3H3
InChIKeyJFESFZMYLUYLTQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.74
Rot. Bonds3

About 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 163315348) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID163315348
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NCc2ncc3c(n2)CCN(C)C3)c1C
InChIInChI=1S/C17H21N7/c1-11-12(2)21-16-4-6-20-24(16)17(11)19-9-15-18-8-13-10-23(3)7-5-14(13)22-15/h4,6,8,19H,5,7,9-10H2,1-3H3
InChIKeyJFESFZMYLUYLTQ-UHFFFAOYSA-N
XLogP1.74
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 163315348) is 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccnn2c(NCc2ncc3c(n2)CCN(C)C3)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JFESFZMYLUYLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-11-12(2)21-16-4-6-20-24(16)17(11)19-9-15-18-8-13-10-23(3)7-5-14(13)22-15/h4,6,8,19H,5,7,9-10H2,1-3H3.
What are the key properties of 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 323.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 163315348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).