6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine

C14H23ClN4O — CID 80940890

IUPAC6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCCCN2CCOCC2)n1
InChIInChI=1S/C14H23ClN4O/c1-2-4-13-17-12(15)11-14(18-13)16-5-3-6-19-7-9-20-10-8-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyLSWPNDQLISFSCE-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.22
Rot. Bonds7

About 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine

6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine (PubChem CID 80940890) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
PubChem CID80940890
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCCCN2CCOCC2)n1
InChIInChI=1S/C14H23ClN4O/c1-2-4-13-17-12(15)11-14(18-13)16-5-3-6-19-7-9-20-10-8-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyLSWPNDQLISFSCE-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
CID 82460824
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82456613
6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
CID 103888266
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
6-N-ethyl-4-N-morpholin-4-yl-2-propylpyrimidine-4,6-diamine
CID 83027389
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine (CID 80940890) is 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine?
The InChIKey is LSWPNDQLISFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-2-4-13-17-12(15)11-14(18-13)16-5-3-6-19-7-9-20-10-8-19/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine has a molecular weight of 298.82 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).