5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol

C10H16ClN3O — CID 107269267

IUPAC5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCc1nc(Cl)cc(NCCCC(C)O)n1
InChIInChI=1S/C10H16ClN3O/c1-7(15)4-3-5-12-10-6-9(11)13-8(2)14-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyYVSWOEHFIUMBGG-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.01
Rot. Bonds5

About 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol

5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 107269267) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID107269267
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCc1nc(Cl)cc(NCCCC(C)O)n1
InChIInChI=1S/C10H16ClN3O/c1-7(15)4-3-5-12-10-6-9(11)13-8(2)14-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyYVSWOEHFIUMBGG-UHFFFAOYSA-N
XLogP2.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269253
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol (CID 107269267) is 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol is Cc1nc(Cl)cc(NCCCC(C)O)n1.
What is the InChIKey of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is YVSWOEHFIUMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(15)4-3-5-12-10-6-9(11)13-8(2)14-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).