N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C15H23N3O — CID 103990755

IUPACN-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NCCC3CCCCO3)n1)CCCC2
InChIInChI=1S/C15H23N3O/c1-2-7-14-13(6-1)15(18-11-17-14)16-9-8-12-5-3-4-10-19-12/h11-12H,1-10H2,(H,16,17,18)
InChIKeyIEGHQANEWKVWSD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103990755) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103990755
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NCCC3CCCCO3)n1)CCCC2
InChIInChI=1S/C15H23N3O/c1-2-7-14-13(6-1)15(18-11-17-14)16-9-8-12-5-3-4-10-19-12/h11-12H,1-10H2,(H,16,17,18)
InChIKeyIEGHQANEWKVWSD-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 176582892
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
5-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 105369246
N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82729364
N-[2-(oxan-2-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70722134
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
CID 103990682
6-N-ethyl-5-nitro-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80812756
N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113233517
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103990755) is N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is c1nc2c(c(NCCC3CCCCO3)n1)CCCC2.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is IEGHQANEWKVWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-7-14-13(6-1)15(18-11-17-14)16-9-8-12-5-3-4-10-19-12/h11-12H,1-10H2,(H,16,17,18).
What are the key properties of N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103990755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).