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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Related Compounds

6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 55229705
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558

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).