N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H19N3 — CID 103525255

IUPACN-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC(C)=CCNc1ncnc2c1CCCC2
InChIInChI=1S/C13H19N3/c1-10(2)7-8-14-13-11-5-3-4-6-12(11)15-9-16-13/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMQGPYQKCPBCPNT-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.73
Rot. Bonds3

About N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103525255) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103525255
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC(C)=CCNc1ncnc2c1CCCC2
InChIInChI=1S/C13H19N3/c1-10(2)7-8-14-13-11-5-3-4-6-12(11)15-9-16-13/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMQGPYQKCPBCPNT-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831874
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
(E)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)but-2-ene-1,4-diamine
CID 113414897
N-(2-chloroprop-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115701962
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide
CID 115750983
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103525255) is N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CC(C)=CCNc1ncnc2c1CCCC2.
What is the InChIKey of N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is MQGPYQKCPBCPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)7-8-14-13-11-5-3-4-6-12(11)15-9-16-13/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103525255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).