2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol

C13H23N3O — CID 114155486

IUPAC2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCCc1cc(NC(C)(C)C(C)(C)O)ncn1
InChIInChI=1S/C13H23N3O/c1-6-7-10-8-11(15-9-14-10)16-12(2,3)13(4,5)17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyXCMCECLDEABCSS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.39
Rot. Bonds5

About 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol

2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 114155486) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID114155486
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCCc1cc(NC(C)(C)C(C)(C)O)ncn1
InChIInChI=1S/C13H23N3O/c1-6-7-10-8-11(15-9-14-10)16-12(2,3)13(4,5)17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyXCMCECLDEABCSS-UHFFFAOYSA-N
XLogP2.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol (CID 114155486) is 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol is CCCc1cc(NC(C)(C)C(C)(C)O)ncn1.
What is the InChIKey of 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is XCMCECLDEABCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-7-10-8-11(15-9-14-10)16-12(2,3)13(4,5)17/h8-9,17H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol?
2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 114155486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).