(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone

C15H16N4O — CID 19705274

IUPAC(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone
SMILESNc1nc(N)c2c(n1)CCC(C(=O)c1ccccc1)C2
InChIInChI=1S/C15H16N4O/c16-14-11-8-10(6-7-12(11)18-15(17)19-14)13(20)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H4,16,17,18,19)
InChIKeyIPWIUOPIEFWKFA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.63
Rot. Bonds2

About (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone

(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone (PubChem CID 19705274) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone
PubChem CID19705274
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone
SMILESNc1nc(N)c2c(n1)CCC(C(=O)c1ccccc1)C2
InChIInChI=1S/C15H16N4O/c16-14-11-8-10(6-7-12(11)18-15(17)19-14)13(20)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H4,16,17,18,19)
InChIKeyIPWIUOPIEFWKFA-UHFFFAOYSA-N
XLogP1.63
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[4-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)phenyl]methanol
CID 56989083
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
[2-(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-(trifluoromethyl)phenyl]methanol
CID 19705205
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine
CID 43134542
2-anilino-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 104609415
[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone
CID 92534284
(6R)-2,4-bis(benzylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 92856144
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
CID 136828485
5-phenyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 123411248

Frequently Asked Questions

What is the IUPAC name of (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone?
The IUPAC name of (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone (CID 19705274) is (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone.
What is the SMILES notation for (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone?
The canonical SMILES for (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone is Nc1nc(N)c2c(n1)CCC(C(=O)c1ccccc1)C2.
What is the InChIKey of (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone?
The InChIKey is IPWIUOPIEFWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-14-11-8-10(6-7-12(11)18-15(17)19-14)13(20)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H4,16,17,18,19).
What are the key properties of (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone?
(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone has a molecular weight of 268.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone is sourced from PubChem (CID 19705274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).