5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol

C11H19ClN4O — CID 114148675

IUPAC5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCNc1ncc(Cl)c(NCCCC(C)O)n1
InChIInChI=1S/C11H19ClN4O/c1-3-13-11-15-7-9(12)10(16-11)14-6-4-5-8(2)17/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCLRHSRRQAKCBNO-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.13
Rot. Bonds7

About 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol

5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 114148675) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID114148675
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCNc1ncc(Cl)c(NCCCC(C)O)n1
InChIInChI=1S/C11H19ClN4O/c1-3-13-11-15-7-9(12)10(16-11)14-6-4-5-8(2)17/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyCLRHSRRQAKCBNO-UHFFFAOYSA-N
XLogP2.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.13
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

1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855284
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-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 114148675) is 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol is CCNc1ncc(Cl)c(NCCCC(C)O)n1.
What is the InChIKey of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is CLRHSRRQAKCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-13-11-15-7-9(12)10(16-11)14-6-4-5-8(2)17/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol?
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 258.75 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 114148675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).