(6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine

C15H15N5O — CID 28820458

IUPAC(6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
SMILESN[C@H]1CCc2nc(Nc3nc4ccccc4o3)ncc2C1
InChIInChI=1S/C15H15N5O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-4,8,10H,5-7,16H2,(H,17,18,19,20)/t10-/m0/s1
InChIKeyDFWMXSZOMOPHFH-JTQLQIEISA-N
MW281.32 g/mol
LogP2.18
Rot. Bonds2

About (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine

(6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine (PubChem CID 28820458) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine.

Molecular Properties

Compound Name(6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
PubChem CID28820458
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name(6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
SMILESN[C@H]1CCc2nc(Nc3nc4ccccc4o3)ncc2C1
InChIInChI=1S/C15H15N5O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-4,8,10H,5-7,16H2,(H,17,18,19,20)/t10-/m0/s1
InChIKeyDFWMXSZOMOPHFH-JTQLQIEISA-N
XLogP2.18
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine with MolForge

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Related Compounds

[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea
CID 28820446
6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371057
N-(6-bromoquinazolin-2-yl)-1,3-benzoxazol-2-amine
CID 58829313
6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 104609487
2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
CID 16584584
N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
CID 70938203
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 122154395
2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
CID 130614270
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
2-(1,3-benzoxazol-2-ylamino)-4-(4-methylphenyl)pyrimidine-5-carbonitrile
CID 71527366
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493

Frequently Asked Questions

What is the IUPAC name of (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
The IUPAC name of (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine (CID 28820458) is (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine.
What is the SMILES notation for (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
The canonical SMILES for (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine is N[C@H]1CCc2nc(Nc3nc4ccccc4o3)ncc2C1.
What is the InChIKey of (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
The InChIKey is DFWMXSZOMOPHFH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N5O/c16-10-5-6-11-9(7-10)8-17-14(18-11)20-15-19-12-3-1-2-4-13(12)21-15/h1-4,8,10H,5-7,16H2,(H,17,18,19,20)/t10-/m0/s1.
What are the key properties of (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine?
(6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine has a molecular weight of 281.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-N-(1,3-benzoxazol-2-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine is sourced from PubChem (CID 28820458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).