4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol

C9H14ClN3O2 — CID 106248398

IUPAC4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3O2/c1-15-5-7(14)2-3-11-9-4-8(10)12-6-13-9/h4,6-7,14H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyVGQHGWOTMUJHOQ-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.94
Rot. Bonds6

About 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol

4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106248398) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
PubChem CID106248398
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3O2/c1-15-5-7(14)2-3-11-9-4-8(10)12-6-13-9/h4,6-7,14H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyVGQHGWOTMUJHOQ-UHFFFAOYSA-N
XLogP0.94
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
CID 106248382
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 66169551
6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740
4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249050
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol (CID 106248398) is 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1cc(Cl)ncn1.
What is the InChIKey of 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is VGQHGWOTMUJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-15-5-7(14)2-3-11-9-4-8(10)12-6-13-9/h4,6-7,14H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 231.68 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).