2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H25N3O — CID 116728949

IUPAC2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C(OC)C2CC2)nc2c1CCCC2
InChIInChI=1S/C16H25N3O/c1-3-10-17-15-12-6-4-5-7-13(12)18-16(19-15)14(20-2)11-8-9-11/h11,14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyLAHAUGHNTRUMPP-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.27
Rot. Bonds6

About 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116728949) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116728949
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C(OC)C2CC2)nc2c1CCCC2
InChIInChI=1S/C16H25N3O/c1-3-10-17-15-12-6-4-5-7-13(12)18-16(19-15)14(20-2)11-8-9-11/h11,14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyLAHAUGHNTRUMPP-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79617455
2-(1-methoxybutyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116729133
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
[2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116728949) is 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(C(OC)C2CC2)nc2c1CCCC2.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is LAHAUGHNTRUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-17-15-12-6-4-5-7-13(12)18-16(19-15)14(20-2)11-8-9-11/h11,14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116728949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).