4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C13H20ClN3O — CID 82461125

IUPAC4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCOCCCNc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C13H20ClN3O/c1-2-18-9-5-8-15-13-16-11-7-4-3-6-10(11)12(14)17-13/h2-9H2,1H3,(H,15,16,17)
InChIKeyLROOWVLTZZSRBY-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.85
Rot. Bonds6

About 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 82461125) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID82461125
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCOCCCNc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C13H20ClN3O/c1-2-18-9-5-8-15-13-16-11-7-4-3-6-10(11)12(14)17-13/h2-9H2,1H3,(H,15,16,17)
InChIKeyLROOWVLTZZSRBY-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]propan-1-ol
CID 82461101
2-(3-ethoxypropylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136779964
4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461164
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432404
12-chloro-N-(3-methoxypropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-amine
CID 82309442
2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779618
4-chloro-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 94674649
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94674630
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
4-chloro-N-(3-ethoxypropyl)-1,2,5-thiadiazol-3-amine
CID 43808242
4-chloro-2-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 79201968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 82461125) is 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine is CCOCCCNc1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is LROOWVLTZZSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-18-9-5-8-15-13-16-11-7-4-3-6-10(11)12(14)17-13/h2-9H2,1H3,(H,15,16,17).
What are the key properties of 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 82461125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).