5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol

C12H22N4O — CID 107207443

IUPAC5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1ncnc(N(C)CCCCCO)c1C
InChIInChI=1S/C12H22N4O/c1-10-11(13-2)14-9-15-12(10)16(3)7-5-4-6-8-17/h9,17H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyXZSRCKUZFCOUEB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds7

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

5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 107207443) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID107207443
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1ncnc(N(C)CCCCCO)c1C
InChIInChI=1S/C12H22N4O/c1-10-11(13-2)14-9-15-12(10)16(3)7-5-4-6-8-17/h9,17H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyXZSRCKUZFCOUEB-UHFFFAOYSA-N
XLogP1.43
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
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-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 107207443) is 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol is CNc1ncnc(N(C)CCCCCO)c1C.
What is the InChIKey of 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is XZSRCKUZFCOUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-11(13-2)14-9-15-12(10)16(3)7-5-4-6-8-17/h9,17H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 107207443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).