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

C15H28N4O — CID 106163373

IUPAC5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
SMILESCCNc1cc(NCCCC(C)CO)nc(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-5-16-13-9-14(19-15(18-13)11(2)3)17-8-6-7-12(4)10-20/h9,11-12,20H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyZSQMGIZKFNNVFS-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.85
Rot. Bonds9

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

5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol (PubChem CID 106163373) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
PubChem CID106163373
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
SMILESCCNc1cc(NCCCC(C)CO)nc(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-5-16-13-9-14(19-15(18-13)11(2)3)17-8-6-7-12(4)10-20/h9,11-12,20H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyZSQMGIZKFNNVFS-UHFFFAOYSA-N
XLogP2.85
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
CID 83117246
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol (CID 106163373) is 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol is CCNc1cc(NCCCC(C)CO)nc(C(C)C)n1.
What is the InChIKey of 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol?
The InChIKey is ZSQMGIZKFNNVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-16-13-9-14(19-15(18-13)11(2)3)17-8-6-7-12(4)10-20/h9,11-12,20H,5-8,10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol?
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106163373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).