6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C14H23ClN4O — CID 79557316

IUPAC6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C14H23ClN4O/c1-3-12-17-13(15)11(2)14(18-12)16-5-4-6-19-7-9-20-10-8-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyXEDGRDDWZUYQOK-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.14
Rot. Bonds6

About 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 79557316) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID79557316
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C14H23ClN4O/c1-3-12-17-13(15)11(2)14(18-12)16-5-4-6-19-7-9-20-10-8-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyXEDGRDDWZUYQOK-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
6-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 79557316) is 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is XEDGRDDWZUYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-3-12-17-13(15)11(2)14(18-12)16-5-4-6-19-7-9-20-10-8-19/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 298.82 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 79557316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).