2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

C18H26N4O — CID 50980746

IUPAC2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCCN(CC1CCCCO1)c1nc(CCN)nc2ccccc12
InChIInChI=1S/C18H26N4O/c1-2-22(13-14-7-5-6-12-23-14)18-15-8-3-4-9-16(15)20-17(21-18)10-11-19/h3-4,8-9,14H,2,5-7,10-13,19H2,1H3
InChIKeyPCTHHRNQSCTLJB-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.53
Rot. Bonds6

About 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (PubChem CID 50980746) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
PubChem CID50980746
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCCN(CC1CCCCO1)c1nc(CCN)nc2ccccc12
InChIInChI=1S/C18H26N4O/c1-2-22(13-14-7-5-6-12-23-14)18-15-8-3-4-9-16(15)20-17(21-18)10-11-19/h3-4,8-9,14H,2,5-7,10-13,19H2,1H3
InChIKeyPCTHHRNQSCTLJB-UHFFFAOYSA-N
XLogP2.53
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 95131269
3-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 63785517
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
CID 61435603
6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 134707902
2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (CID 50980746) is 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is CCN(CC1CCCCO1)c1nc(CCN)nc2ccccc12.
What is the InChIKey of 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is PCTHHRNQSCTLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-22(13-14-7-5-6-12-23-14)18-15-8-3-4-9-16(15)20-17(21-18)10-11-19/h3-4,8-9,14H,2,5-7,10-13,19H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-ethyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 50980746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).