6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione

C16H21N3O2 — CID 167990812

IUPAC6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione
SMILESCC(CC1CC1)Nc1ccc(C2CC(=O)NC(=O)N2)cc1
InChIInChI=1S/C16H21N3O2/c1-10(8-11-2-3-11)17-13-6-4-12(5-7-13)14-9-15(20)19-16(21)18-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3,(H2,18,19,20,21)
InChIKeyKGTDSFCANTTZDU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds5

About 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione

6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167990812) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167990812
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione
SMILESCC(CC1CC1)Nc1ccc(C2CC(=O)NC(=O)N2)cc1
InChIInChI=1S/C16H21N3O2/c1-10(8-11-2-3-11)17-13-6-4-12(5-7-13)14-9-15(20)19-16(21)18-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3,(H2,18,19,20,21)
InChIKeyKGTDSFCANTTZDU-UHFFFAOYSA-N
XLogP2.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione
CID 730381
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
4-(1-cyclopropylpropan-2-ylamino)-N-methylbenzamide
CID 113489746
3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one
CID 104788532
N-(1-cyclopropylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115903256
N-(1-cyclopropylpropan-2-yl)-4-fluoro-3-methylaniline
CID 115922487
3-[[4-(2,6-dioxo-1,3-diazinan-4-yl)anilino]methyl]benzonitrile
CID 154843184
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788
4-chloro-N-(1-cyclopropylpropan-2-yl)-3-(methylsulfinylmethyl)aniline
CID 91660835
N-(1-cyclopropylpropan-2-yl)quinolin-6-amine
CID 115928694

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione (CID 167990812) is 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione is CC(CC1CC1)Nc1ccc(C2CC(=O)NC(=O)N2)cc1.
What is the InChIKey of 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is KGTDSFCANTTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(8-11-2-3-11)17-13-6-4-12(5-7-13)14-9-15(20)19-16(21)18-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione?
6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167990812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).