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

C14H26N4O — CID 107207555

IUPAC5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1ncnc(N(C)CCCCCO)c1C(C)C
InChIInChI=1S/C14H26N4O/c1-11(2)12-13(15-3)16-10-17-14(12)18(4)8-6-5-7-9-19/h10-11,19H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyNBDBUPVQLILJRW-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.24
Rot. Bonds8

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

5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 107207555) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
PubChem CID107207555
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1ncnc(N(C)CCCCCO)c1C(C)C
InChIInChI=1S/C14H26N4O/c1-11(2)12-13(15-3)16-10-17-14(12)18(4)8-6-5-7-9-19/h10-11,19H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyNBDBUPVQLILJRW-UHFFFAOYSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol (CID 107207555) is 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol is CNc1ncnc(N(C)CCCCCO)c1C(C)C.
What is the InChIKey of 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is NBDBUPVQLILJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)12-13(15-3)16-10-17-14(12)18(4)8-6-5-7-9-19/h10-11,19H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol?
5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 107207555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).