(NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine

C20H26N4O — CID 129283763

IUPAC(NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1cnc(N[C@H]2c3cc(C)ccc3C[C@@H]2C)nc1CC
InChIInChI=1S/C20H26N4O/c1-5-17-16(18(6-2)24-25)11-21-20(22-17)23-19-13(4)10-14-8-7-12(3)9-15(14)19/h7-9,11,13,19,25H,5-6,10H2,1-4H3,(H,21,22,23)/b24-18+/t13-,19+/m0/s1
InChIKeyMOEUXEYXUSKHIY-LMGPZKDASA-N
MW338.46 g/mol
LogP4.28
Rot. Bonds5

About (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine

(NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine (PubChem CID 129283763) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine
PubChem CID129283763
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1cnc(N[C@H]2c3cc(C)ccc3C[C@@H]2C)nc1CC
InChIInChI=1S/C20H26N4O/c1-5-17-16(18(6-2)24-25)11-21-20(22-17)23-19-13(4)10-14-8-7-12(3)9-15(14)19/h7-9,11,13,19,25H,5-6,10H2,1-4H3,(H,21,22,23)/b24-18+/t13-,19+/m0/s1
InChIKeyMOEUXEYXUSKHIY-LMGPZKDASA-N
XLogP4.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-5-[(E)-N-(4-fluorophenoxy)-C-methylcarbonimidoyl]pyrimidin-2-amine
CID 129283780
(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 101384665
2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine
CID 58590413
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103949520
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 75475378
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
N-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-methylsulfonylpyridine-3-carboxamide
CID 138024038
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 173049230
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 110024699
(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 129412226

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine (CID 129283763) is (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine is CC/C(=N\O)c1cnc(N[C@H]2c3cc(C)ccc3C[C@@H]2C)nc1CC.
What is the InChIKey of (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine?
The InChIKey is MOEUXEYXUSKHIY-LMGPZKDASA-N. The full InChI is InChI=1S/C20H26N4O/c1-5-17-16(18(6-2)24-25)11-21-20(22-17)23-19-13(4)10-14-8-7-12(3)9-15(14)19/h7-9,11,13,19,25H,5-6,10H2,1-4H3,(H,21,22,23)/b24-18+/t13-,19+/m0/s1.
What are the key properties of (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine?
(NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine has a molecular weight of 338.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-[[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-4-ethylpyrimidin-5-yl]propylidene]hydroxylamine is sourced from PubChem (CID 129283763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).