4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C15H21N5O — CID 72869114

IUPAC4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCCCc1cc(CNc2nc(N)nc3c2CCCC3)on1
InChIInChI=1S/C15H21N5O/c1-2-5-10-8-11(21-20-10)9-17-14-12-6-3-4-7-13(12)18-15(16)19-14/h8H,2-7,9H2,1H3,(H3,16,17,18,19)
InChIKeyVKIZEPPMHOFMFT-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.49
Rot. Bonds5

About 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 72869114) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID72869114
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCCCc1cc(CNc2nc(N)nc3c2CCCC3)on1
InChIInChI=1S/C15H21N5O/c1-2-5-10-8-11(21-20-10)9-17-14-12-6-3-4-7-13(12)18-15(16)19-14/h8H,2-7,9H2,1H3,(H3,16,17,18,19)
InChIKeyVKIZEPPMHOFMFT-UHFFFAOYSA-N
XLogP2.49
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 72869114) is 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CCCc1cc(CNc2nc(N)nc3c2CCCC3)on1.
What is the InChIKey of 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is VKIZEPPMHOFMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-5-10-8-11(21-20-10)9-17-14-12-6-3-4-7-13(12)18-15(16)19-14/h8H,2-7,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 72869114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).