1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol

C15H28N4O — CID 80993004

IUPAC1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCCNc1nc(C(C)C)nc(NCC(C)(O)CC)c1C
InChIInChI=1S/C15H28N4O/c1-7-15(6,20)9-17-14-11(5)13(16-8-2)18-12(19-14)10(3)4/h10,20H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyVFLPRMTZRXOSGB-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.91
Rot. Bonds7

About 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol

1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol (PubChem CID 80993004) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
PubChem CID80993004
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCCNc1nc(C(C)C)nc(NCC(C)(O)CC)c1C
InChIInChI=1S/C15H28N4O/c1-7-15(6,20)9-17-14-11(5)13(16-8-2)18-12(19-14)10(3)4/h10,20H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyVFLPRMTZRXOSGB-UHFFFAOYSA-N
XLogP2.91
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256559
6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984018
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 81006589
2,2-dimethyl-3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 115366534
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol (CID 80993004) is 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol is CCNc1nc(C(C)C)nc(NCC(C)(O)CC)c1C.
What is the InChIKey of 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The InChIKey is VFLPRMTZRXOSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-15(6,20)9-17-14-11(5)13(16-8-2)18-12(19-14)10(3)4/h10,20H,7-9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol?
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 80993004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).