ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine

C12H17N3 — CID 165135845

IUPACethane;8-propan-2-ylpyrido[3,2-d]pyrimidine
SMILESCC.CC(C)c1ccnc2cncnc12
InChIInChI=1S/C10H11N3.C2H6/c1-7(2)8-3-4-12-9-5-11-6-13-10(8)9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyCRKXKTPXVKQLEP-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.17
Rot. Bonds1

About ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine

ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine (PubChem CID 165135845) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Nameethane;8-propan-2-ylpyrido[3,2-d]pyrimidine
PubChem CID165135845
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameethane;8-propan-2-ylpyrido[3,2-d]pyrimidine
SMILESCC.CC(C)c1ccnc2cncnc12
InChIInChI=1S/C10H11N3.C2H6/c1-7(2)8-3-4-12-9-5-11-6-13-10(8)9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyCRKXKTPXVKQLEP-UHFFFAOYSA-N
XLogP3.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine?
The IUPAC name of ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine (CID 165135845) is ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine?
The canonical SMILES for ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine is CC.CC(C)c1ccnc2cncnc12.
What is the InChIKey of ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine?
The InChIKey is CRKXKTPXVKQLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C2H6/c1-7(2)8-3-4-12-9-5-11-6-13-10(8)9;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine?
ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 165135845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).