2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine

C13H13N5O — CID 106424669

IUPAC2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccno2)c2ccccc2n1
InChIInChI=1S/C13H13N5O/c1-14-13-17-11-5-3-2-4-10(11)12(18-13)15-8-9-6-7-16-19-9/h2-7H,8H2,1H3,(H2,14,15,17,18)
InChIKeyXFSYXCHVONWXLN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.27
Rot. Bonds4

About 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine

2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine (PubChem CID 106424669) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
PubChem CID106424669
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccno2)c2ccccc2n1
InChIInChI=1S/C13H13N5O/c1-14-13-17-11-5-3-2-4-10(11)12(18-13)15-8-9-6-7-16-19-9/h2-7H,8H2,1H3,(H2,14,15,17,18)
InChIKeyXFSYXCHVONWXLN-UHFFFAOYSA-N
XLogP2.27
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424574
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
CID 106419114
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
CID 80796871
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine (CID 106424669) is 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine is CNc1nc(NCc2ccno2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is XFSYXCHVONWXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-14-13-17-11-5-3-2-4-10(11)12(18-13)15-8-9-6-7-16-19-9/h2-7H,8H2,1H3,(H2,14,15,17,18).
What are the key properties of 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine?
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 255.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 106424669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).