2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol

C10H17N3O — CID 60725889

IUPAC2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1cc(C)nc(C)n1
InChIInChI=1S/C10H17N3O/c1-4-9(6-14)13-10-5-7(2)11-8(3)12-10/h5,9,14H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyDPNFSAJSJPYEHH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.28
Rot. Bonds4

About 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol

2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 60725889) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID60725889
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1cc(C)nc(C)n1
InChIInChI=1S/C10H17N3O/c1-4-9(6-14)13-10-5-7(2)11-8(3)12-10/h5,9,14H,4,6H2,1-3H3,(H,11,12,13)
InChIKeyDPNFSAJSJPYEHH-UHFFFAOYSA-N
XLogP1.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol (CID 60725889) is 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1cc(C)nc(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is DPNFSAJSJPYEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-9(6-14)13-10-5-7(2)11-8(3)12-10/h5,9,14H,4,6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol?
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 60725889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).