N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C15H23N3O — CID 133462458

IUPACN-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOC1(CNc2nc(C)nc3c2CCCC3)CCC1
InChIInChI=1S/C15H23N3O/c1-11-17-13-7-4-3-6-12(13)14(18-11)16-10-15(19-2)8-5-9-15/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyOAIHENQGDQTVKS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.64
Rot. Bonds4

About N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133462458) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133462458
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOC1(CNc2nc(C)nc3c2CCCC3)CCC1
InChIInChI=1S/C15H23N3O/c1-11-17-13-7-4-3-6-12(13)14(18-11)16-10-15(19-2)8-5-9-15/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyOAIHENQGDQTVKS-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138053509
2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461264
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-[(1-methoxycyclobutyl)methylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755525
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461644
2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460830
2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460771
N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
CID 133460018
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133462458) is N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is COC1(CNc2nc(C)nc3c2CCCC3)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OAIHENQGDQTVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-17-13-7-4-3-6-12(13)14(18-11)16-10-15(19-2)8-5-9-15/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133462458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).