4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C10H13N3 — CID 138635958

IUPAC4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESC=C(C)c1ncnc2c1CCNC2
InChIInChI=1S/C10H13N3/c1-7(2)10-8-3-4-11-5-9(8)12-6-13-10/h6,11H,1,3-5H2,2H3
InChIKeyNIIPLTDHHUXURF-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds1

About 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 138635958) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID138635958
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESC=C(C)c1ncnc2c1CCNC2
InChIInChI=1S/C10H13N3/c1-7(2)10-8-3-4-11-5-9(8)12-6-13-10/h6,11H,1,3-5H2,2H3
InChIKeyNIIPLTDHHUXURF-UHFFFAOYSA-N
XLogP1.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 138635958) is 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is C=C(C)c1ncnc2c1CCNC2.
What is the InChIKey of 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is NIIPLTDHHUXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(2)10-8-3-4-11-5-9(8)12-6-13-10/h6,11H,1,3-5H2,2H3.
What are the key properties of 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 175.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 138635958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).