2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine

C12H18ClN3O — CID 103721807

IUPAC2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
SMILESCC(CN1CCOCC1)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-10(9-16-4-6-17-7-5-16)15-11-2-3-14-12(13)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,14,15)
InChIKeyJOYKVWHAOHWSJL-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine

2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine (PubChem CID 103721807) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
PubChem CID103721807
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
SMILESCC(CN1CCOCC1)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-10(9-16-4-6-17-7-5-16)15-11-2-3-14-12(13)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,14,15)
InChIKeyJOYKVWHAOHWSJL-UHFFFAOYSA-N
XLogP1.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
6-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 63586349
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427
N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-4-amine
CID 94220826
6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
CID 104918892
1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol
CID 106538109
6-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyrazin-2-amine
CID 47370622
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 112685180
6,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)quinolin-4-amine
CID 122570270
3-iodo-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 75373063
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 79633115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine (CID 103721807) is 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine is CC(CN1CCOCC1)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine?
The InChIKey is JOYKVWHAOHWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-10(9-16-4-6-17-7-5-16)15-11-2-3-14-12(13)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine?
2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine is sourced from PubChem (CID 103721807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).