1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline

C14H19N3 — CID 54439022

IUPAC1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
SMILESCCN1CCCN2C1=Nc1ccccc1C2C
InChIInChI=1S/C14H19N3/c1-3-16-9-6-10-17-11(2)12-7-4-5-8-13(12)15-14(16)17/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyWMTLUXWIRAMJHI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.78
Rot. Bonds1

About 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline

1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline (PubChem CID 54439022) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline.

Molecular Properties

Compound Name1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
PubChem CID54439022
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
SMILESCCN1CCCN2C1=Nc1ccccc1C2C
InChIInChI=1S/C14H19N3/c1-3-16-9-6-10-17-11(2)12-7-4-5-8-13(12)15-14(16)17/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyWMTLUXWIRAMJHI-UHFFFAOYSA-N
XLogP2.78
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The IUPAC name of 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline (CID 54439022) is 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline.
What is the SMILES notation for 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The canonical SMILES for 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline is CCN1CCCN2C1=Nc1ccccc1C2C.
What is the InChIKey of 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
The InChIKey is WMTLUXWIRAMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-16-9-6-10-17-11(2)12-7-4-5-8-13(12)15-14(16)17/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline?
1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline has a molecular weight of 229.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline is sourced from PubChem (CID 54439022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).