(1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate

C17H24N4O2 — CID 118710747

IUPAC(1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2c(c1)CN1CCCN(C)C1=N2
InChIInChI=1S/C17H24N4O2/c1-3-4-8-18-17(22)23-14-6-7-15-13(11-14)12-21-10-5-9-20(2)16(21)19-15/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,22)
InChIKeySYONFHJXDJMXOQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.71
Rot. Bonds4

About (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate

(1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate (PubChem CID 118710747) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate.

Molecular Properties

Compound Name(1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate
PubChem CID118710747
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc2c(c1)CN1CCCN(C)C1=N2
InChIInChI=1S/C17H24N4O2/c1-3-4-8-18-17(22)23-14-6-7-15-13(11-14)12-21-10-5-9-20(2)16(21)19-15/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,22)
InChIKeySYONFHJXDJMXOQ-UHFFFAOYSA-N
XLogP2.71
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate?
The IUPAC name of (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate (CID 118710747) is (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate.
What is the SMILES notation for (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate?
The canonical SMILES for (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate is CCCCNC(=O)Oc1ccc2c(c1)CN1CCCN(C)C1=N2.
What is the InChIKey of (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate?
The InChIKey is SYONFHJXDJMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-4-8-18-17(22)23-14-6-7-15-13(11-14)12-21-10-5-9-20(2)16(21)19-15/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,22).
What are the key properties of (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate?
(1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate has a molecular weight of 316.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazolin-8-yl) N-butylcarbamate is sourced from PubChem (CID 118710747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).