2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C14H18N4O — CID 139001440

IUPAC2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3ncc(C)o3)n1)CCCC2
InChIInChI=1S/C14H18N4O/c1-9-7-15-13(19-9)8-16-14-11-5-3-4-6-12(11)17-10(2)18-14/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyKBZGCSZWYNJRTE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 139001440) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID139001440
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3ncc(C)o3)n1)CCCC2
InChIInChI=1S/C14H18N4O/c1-9-7-15-13(19-9)8-16-14-11-5-3-4-6-12(11)17-10(2)18-14/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyKBZGCSZWYNJRTE-UHFFFAOYSA-N
XLogP2.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 139001440) is 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCc3ncc(C)o3)n1)CCCC2.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KBZGCSZWYNJRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-15-13(19-9)8-16-14-11-5-3-4-6-12(11)17-10(2)18-14/h7H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 139001440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).