6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine

C16H19ClN4O2 — CID 167040265

IUPAC6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine
SMILESCOC1(c2cc(C)cc(Nc3cc(Cl)ncc3N)n2)CCOC1
InChIInChI=1S/C16H19ClN4O2/c1-10-5-13(16(22-2)3-4-23-9-16)21-15(6-10)20-12-7-14(17)19-8-11(12)18/h5-8H,3-4,9,18H2,1-2H3,(H,19,20,21)
InChIKeyVSTONDNGRKCCRC-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.03
Rot. Bonds4

About 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine

6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine (PubChem CID 167040265) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine
PubChem CID167040265
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine
SMILESCOC1(c2cc(C)cc(Nc3cc(Cl)ncc3N)n2)CCOC1
InChIInChI=1S/C16H19ClN4O2/c1-10-5-13(16(22-2)3-4-23-9-16)21-15(6-10)20-12-7-14(17)19-8-11(12)18/h5-8H,3-4,9,18H2,1-2H3,(H,19,20,21)
InChIKeyVSTONDNGRKCCRC-UHFFFAOYSA-N
XLogP3.03
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-ethenyl-4-pyridinyl)-6-(1-ethylcyclopentyl)-4-methylpyridin-2-amine
CID 167080766
2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
CID 139464296
2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
CID 139464616
N-[1-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl]acetamide
CID 163261755
3-[[2-chloro-6-[(3S)-3-methoxyoxolan-3-yl]-4-pyridinyl]oxy]cyclobutan-1-ol
CID 170351467
[3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea
CID 163377480
N-[5-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-7-methylpyrrolo[2,3-c]pyridazin-3-yl]acetamide
CID 163377508
N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 163261735
N-[3-(4-hydroxybut-1-ynyl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 163261736
ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate
CID 163261713
4-ethenyl-2-(3-methoxyoxolan-3-yl)pyridine
CID 139464706
2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
CID 163377534

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine?
The IUPAC name of 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine (CID 167040265) is 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine?
The canonical SMILES for 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine is COC1(c2cc(C)cc(Nc3cc(Cl)ncc3N)n2)CCOC1.
What is the InChIKey of 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine?
The InChIKey is VSTONDNGRKCCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10-5-13(16(22-2)3-4-23-9-16)21-15(6-10)20-12-7-14(17)19-8-11(12)18/h5-8H,3-4,9,18H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine?
6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine has a molecular weight of 334.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine is sourced from PubChem (CID 167040265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).