6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine

C14H23ClN4O — CID 63729585

IUPAC6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCCCN1CCOCC1
InChIInChI=1S/C14H23ClN4O/c1-11(2)12-13(15)17-10-18-14(12)16-4-3-5-19-6-8-20-9-7-19/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyJILDUWOEYINGPL-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.39
Rot. Bonds6

About 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63729585) 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)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID63729585
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCCCN1CCOCC1
InChIInChI=1S/C14H23ClN4O/c1-11(2)12-13(15)17-10-18-14(12)16-4-3-5-19-6-8-20-9-7-19/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyJILDUWOEYINGPL-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine (CID 63729585) is 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NCCCN1CCOCC1.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is JILDUWOEYINGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-11(2)12-13(15)17-10-18-14(12)16-4-3-5-19-6-8-20-9-7-19/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 298.82 g/mol, XLogP of 2.39, 6 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)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63729585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).