4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol

C10H17N3O3 — CID 106162039

IUPAC4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1cc(OC)ncn1
InChIInChI=1S/C10H17N3O3/c1-15-6-8(3-4-14)13-9-5-10(16-2)12-7-11-9/h5,7-8,14H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyDPEDECUXFAIEJL-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.29
Rot. Bonds7

About 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol

4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106162039) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
PubChem CID106162039
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1cc(OC)ncn1
InChIInChI=1S/C10H17N3O3/c1-15-6-8(3-4-14)13-9-5-10(16-2)12-7-11-9/h5,7-8,14H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyDPEDECUXFAIEJL-UHFFFAOYSA-N
XLogP0.29
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113239941
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
CID 66324981
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
CID 106157813

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol (CID 106162039) is 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol is COCC(CCO)Nc1cc(OC)ncn1.
What is the InChIKey of 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is DPEDECUXFAIEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-15-6-8(3-4-14)13-9-5-10(16-2)12-7-11-9/h5,7-8,14H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol?
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 227.26 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106162039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).