2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

C10H15N3 — CID 166941093

IUPAC2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC(C)c1ncc2c(n1)NCCC2
InChIInChI=1S/C10H15N3/c1-7(2)9-12-6-8-4-3-5-11-10(8)13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyVQCLXRINSMENMJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.96
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (PubChem CID 166941093) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
PubChem CID166941093
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC(C)c1ncc2c(n1)NCCC2
InChIInChI=1S/C10H15N3/c1-7(2)9-12-6-8-4-3-5-11-10(8)13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyVQCLXRINSMENMJ-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (CID 166941093) is 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is CC(C)c1ncc2c(n1)NCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The InChIKey is VQCLXRINSMENMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)9-12-6-8-4-3-5-11-10(8)13-9/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166941093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).