6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine

C12H18N4O — CID 142517931

IUPAC6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine
SMILESC=C(C)Nc1ccc(N2CCOCC2)nc1N
InChIInChI=1S/C12H18N4O/c1-9(2)14-10-3-4-11(15-12(10)13)16-5-7-17-8-6-16/h3-4,14H,1,5-8H2,2H3,(H2,13,15)
InChIKeyATBUXGHXGIDOTR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.45
Rot. Bonds3

About 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine

6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine (PubChem CID 142517931) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine
PubChem CID142517931
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine
SMILESC=C(C)Nc1ccc(N2CCOCC2)nc1N
InChIInChI=1S/C12H18N4O/c1-9(2)14-10-3-4-11(15-12(10)13)16-5-7-17-8-6-16/h3-4,14H,1,5-8H2,2H3,(H2,13,15)
InChIKeyATBUXGHXGIDOTR-UHFFFAOYSA-N
XLogP1.45
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-6-morpholin-4-yl-3-pyridinyl)propanamide
CID 110178379
2-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 118234472
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid
CID 122032550
2-methyl-6-morpholin-4-yl-N-(oxan-3-yl)pyridin-3-amine
CID 75483643
ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 110186737
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
CID 176548594
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
6-chloro-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 133385294
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide
CID 88902286
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
CID 128977896

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine?
The IUPAC name of 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine (CID 142517931) is 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine?
The canonical SMILES for 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine is C=C(C)Nc1ccc(N2CCOCC2)nc1N.
What is the InChIKey of 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine?
The InChIKey is ATBUXGHXGIDOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)14-10-3-4-11(15-12(10)13)16-5-7-17-8-6-16/h3-4,14H,1,5-8H2,2H3,(H2,13,15).
What are the key properties of 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine?
6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine has a molecular weight of 234.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3-N-prop-1-en-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 142517931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).