6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine

C15H28N4O — CID 82946495

IUPAC6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
SMILESCCCOCCCNc1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C15H28N4O/c1-6-9-20-10-7-8-17-15-12(4)14(16-5)18-13(19-15)11(2)3/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyPXELUFQPFSBMEG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.18
Rot. Bonds9

About 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine (PubChem CID 82946495) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
PubChem CID82946495
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
SMILESCCCOCCCNc1nc(C(C)C)nc(NC)c1C
InChIInChI=1S/C15H28N4O/c1-6-9-20-10-7-8-17-15-12(4)14(16-5)18-13(19-15)11(2)3/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyPXELUFQPFSBMEG-UHFFFAOYSA-N
XLogP3.18
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057
N,5-dimethyl-2-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80990512
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102701807
N-[2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80993574
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine (CID 82946495) is 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine is CCCOCCCNc1nc(C(C)C)nc(NC)c1C.
What is the InChIKey of 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
The InChIKey is PXELUFQPFSBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-9-20-10-7-8-17-15-12(4)14(16-5)18-13(19-15)11(2)3/h11H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 82946495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).