5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol

C11H20N4O — CID 107302539

IUPAC5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCCc1nc(N)cc(NCCCCCO)n1
InChIInChI=1S/C11H20N4O/c1-2-10-14-9(12)8-11(15-10)13-6-4-3-5-7-16/h8,16H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyHKCAJFXLNOPBRV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.20
Rot. Bonds7

About 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol

5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 107302539) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID107302539
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCCc1nc(N)cc(NCCCCCO)n1
InChIInChI=1S/C11H20N4O/c1-2-10-14-9(12)8-11(15-10)13-6-4-3-5-7-16/h8,16H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyHKCAJFXLNOPBRV-UHFFFAOYSA-N
XLogP1.20
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.20
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

2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol (CID 107302539) is 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol is CCc1nc(N)cc(NCCCCCO)n1.
What is the InChIKey of 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is HKCAJFXLNOPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-10-14-9(12)8-11(15-10)13-6-4-3-5-7-16/h8,16H,2-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol?
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 107302539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).