N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C11H14ClN3 — CID 115701962

IUPACN-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC=C(Cl)CNc1ncnc2c1CCCC2
InChIInChI=1S/C11H14ClN3/c1-8(12)6-13-11-9-4-2-3-5-10(9)14-7-15-11/h7H,1-6H2,(H,13,14,15)
InChIKeySAXRNPUILOSRAZ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.52
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 115701962) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID115701962
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC NameN-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC=C(Cl)CNc1ncnc2c1CCCC2
InChIInChI=1S/C11H14ClN3/c1-8(12)6-13-11-9-4-2-3-5-10(9)14-7-15-11/h7H,1-6H2,(H,13,14,15)
InChIKeySAXRNPUILOSRAZ-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide
CID 115750983
N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831874
N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103525255
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-[2-(2-adamantyl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 176582892
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 115701962) is N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine is C=C(Cl)CNc1ncnc2c1CCCC2.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is SAXRNPUILOSRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8(12)6-13-11-9-4-2-3-5-10(9)14-7-15-11/h7H,1-6H2,(H,13,14,15).
What are the key properties of N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 223.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 115701962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).