(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide

C12H17N5 — CID 53215329

IUPAC(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide
SMILESCCCN1CCc2nc(NC#N)nc(C)c2C1
InChIInChI=1S/C12H17N5/c1-3-5-17-6-4-11-10(7-17)9(2)15-12(16-11)14-8-13/h3-7H2,1-2H3,(H,14,15,16)
InChIKeyPLKORCWXAWHPPT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds3

About (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide

(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide (PubChem CID 53215329) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Name(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide
PubChem CID53215329
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide
SMILESCCCN1CCc2nc(NC#N)nc(C)c2C1
InChIInChI=1S/C12H17N5/c1-3-5-17-6-4-11-10(7-17)9(2)15-12(16-11)14-8-13/h3-7H2,1-2H3,(H,14,15,16)
InChIKeyPLKORCWXAWHPPT-UHFFFAOYSA-N
XLogP1.45
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide?
The IUPAC name of (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide (CID 53215329) is (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide.
What is the SMILES notation for (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide?
The canonical SMILES for (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide is CCCN1CCc2nc(NC#N)nc(C)c2C1.
What is the InChIKey of (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide?
The InChIKey is PLKORCWXAWHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-5-17-6-4-11-10(7-17)9(2)15-12(16-11)14-8-13/h3-7H2,1-2H3,(H,14,15,16).
What are the key properties of (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide?
(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide has a molecular weight of 231.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide is sourced from PubChem (CID 53215329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).