2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine

C12H19N3 — CID 115345273

IUPAC2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine
SMILESCc1nc(C(C)CN)nc2c1CCCC2
InChIInChI=1S/C12H19N3/c1-8(7-13)12-14-9(2)10-5-3-4-6-11(10)15-12/h8H,3-7,13H2,1-2H3
InChIKeyDPGBWALDYUPOQY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.73
Rot. Bonds2

About 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine

2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine (PubChem CID 115345273) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine
PubChem CID115345273
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine
SMILESCc1nc(C(C)CN)nc2c1CCCC2
InChIInChI=1S/C12H19N3/c1-8(7-13)12-14-9(2)10-5-3-4-6-11(10)15-12/h8H,3-7,13H2,1-2H3
InChIKeyDPGBWALDYUPOQY-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine?
The IUPAC name of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine (CID 115345273) is 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine?
The canonical SMILES for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine is Cc1nc(C(C)CN)nc2c1CCCC2.
What is the InChIKey of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine?
The InChIKey is DPGBWALDYUPOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(7-13)12-14-9(2)10-5-3-4-6-11(10)15-12/h8H,3-7,13H2,1-2H3.
What are the key properties of 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine?
2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine is sourced from PubChem (CID 115345273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).