6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C13H21IN4O — CID 66299019

IUPAC6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCNc1nc(N2CCOCC2)nc(C(C)(C)C)c1I
InChIInChI=1S/C13H21IN4O/c1-13(2,3)10-9(14)11(15-4)17-12(16-10)18-5-7-19-8-6-18/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyLKDNFFQLNXZMRO-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.26
Rot. Bonds2

About 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 66299019) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID66299019
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCNc1nc(N2CCOCC2)nc(C(C)(C)C)c1I
InChIInChI=1S/C13H21IN4O/c1-13(2,3)10-9(14)11(15-4)17-12(16-10)18-5-7-19-8-6-18/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyLKDNFFQLNXZMRO-UHFFFAOYSA-N
XLogP2.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,5,6-trimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 62192217
6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66299616
4-(4-tert-butyl-6,7-dimethylquinazolin-2-yl)morpholine
CID 58241121
6-tert-butyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66307032
4-N-methyl-2-morpholin-4-ylpyrimidine-4,5-diamine
CID 56647244
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298619
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298229

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 66299019) is 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CNc1nc(N2CCOCC2)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LKDNFFQLNXZMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4O/c1-13(2,3)10-9(14)11(15-4)17-12(16-10)18-5-7-19-8-6-18/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 376.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66299019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).