2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C14H21N3O — CID 116728665

IUPAC2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC(c1nc(N)c2c(n1)CCCC2)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-18-12(9-7-8-9)14-16-11-6-4-3-5-10(11)13(15)17-14/h9,12H,2-8H2,1H3,(H2,15,16,17)
InChIKeyCUNFQOMMKYKSDB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds4

About 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116728665) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116728665
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCOC(c1nc(N)c2c(n1)CCCC2)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-18-12(9-7-8-9)14-16-11-6-4-3-5-10(11)13(15)17-14/h9,12H,2-8H2,1H3,(H2,15,16,17)
InChIKeyCUNFQOMMKYKSDB-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116728665) is 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is CCOC(c1nc(N)c2c(n1)CCCC2)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is CUNFQOMMKYKSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-18-12(9-7-8-9)14-16-11-6-4-3-5-10(11)13(15)17-14/h9,12H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116728665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).