4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol

C9H15ClN4O2 — CID 106243066

IUPAC4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ncnc(Cl)c1N
InChIInChI=1S/C9H15ClN4O2/c1-16-4-6(15)2-3-12-9-7(11)8(10)13-5-14-9/h5-6,15H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyOEVWTHDAVFSMAL-UHFFFAOYSA-N
MW246.70 g/mol
LogP0.52
Rot. Bonds6

About 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol

4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106243066) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
PubChem CID106243066
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ncnc(Cl)c1N
InChIInChI=1S/C9H15ClN4O2/c1-16-4-6(15)2-3-12-9-7(11)8(10)13-5-14-9/h5-6,15H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyOEVWTHDAVFSMAL-UHFFFAOYSA-N
XLogP0.52
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol with MolForge

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Related Compounds

4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
4-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249039
4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106249050
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 138013300
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248398
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol (CID 106243066) is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1ncnc(Cl)c1N.
What is the InChIKey of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is OEVWTHDAVFSMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2/c1-16-4-6(15)2-3-12-9-7(11)8(10)13-5-14-9/h5-6,15H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 246.70 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106243066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).