4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

C12H21N3O2 — CID 113239941

IUPAC4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-9(2)11-6-12(14-8-13-11)15-10(4-5-16)7-17-3/h6,8-10,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyYISSLQANPYNAKD-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.41
Rot. Bonds7

About 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 113239941) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID113239941
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-9(2)11-6-12(14-8-13-11)15-10(4-5-16)7-17-3/h6,8-10,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyYISSLQANPYNAKD-UHFFFAOYSA-N
XLogP1.41
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 113239941) is 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is COCC(CCO)Nc1cc(C(C)C)ncn1.
What is the InChIKey of 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is YISSLQANPYNAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)11-6-12(14-8-13-11)15-10(4-5-16)7-17-3/h6,8-10,16H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 113239941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).