6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol

C12H21ClN4O — CID 107855284

IUPAC6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCNc1ncc(Cl)c(NCCCCCCO)n1
InChIInChI=1S/C12H21ClN4O/c1-2-14-12-16-9-10(13)11(17-12)15-7-5-3-4-6-8-18/h9,18H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyLHAWUNULWQZGLZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.53
Rot. Bonds9

About 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol

6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 107855284) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID107855284
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCNc1ncc(Cl)c(NCCCCCCO)n1
InChIInChI=1S/C12H21ClN4O/c1-2-14-12-16-9-10(13)11(17-12)15-7-5-3-4-6-8-18/h9,18H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyLHAWUNULWQZGLZ-UHFFFAOYSA-N
XLogP2.53
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.53
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

5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-2-N-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042165
5-chloro-2-N-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 80811591
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150365
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791754

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol (CID 107855284) is 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol is CCNc1ncc(Cl)c(NCCCCCCO)n1.
What is the InChIKey of 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is LHAWUNULWQZGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-2-14-12-16-9-10(13)11(17-12)15-7-5-3-4-6-8-18/h9,18H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol?
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 272.78 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 107855284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).