(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol

C11H20FN5O — CID 125441184

IUPAC(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
SMILESCN(C)C[C@@H](O)CNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C11H20FN5O/c1-16(2)7-8(18)5-13-11-14-6-9(12)10(15-11)17(3)4/h6,8,18H,5,7H2,1-4H3,(H,13,14,15)/t8-/m0/s1
InChIKeyWGEVCGMGEYEPCK-QMMMGPOBSA-N
MW257.31 g/mol
LogP0.02
Rot. Bonds6

About (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol

(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol (PubChem CID 125441184) has the molecular formula C11H20FN5O and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
PubChem CID125441184
Molecular FormulaC11H20FN5O
Molecular Weight257.31 g/mol
Exact Mass257.17
IUPAC Name(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
SMILESCN(C)C[C@@H](O)CNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C11H20FN5O/c1-16(2)7-8(18)5-13-11-14-6-9(12)10(15-11)17(3)4/h6,8,18H,5,7H2,1-4H3,(H,13,14,15)/t8-/m0/s1
InChIKeyWGEVCGMGEYEPCK-QMMMGPOBSA-N
XLogP0.02
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol (CID 125441184) is (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol is CN(C)C[C@@H](O)CNc1ncc(F)c(N(C)C)n1.
What is the InChIKey of (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is WGEVCGMGEYEPCK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20FN5O/c1-16(2)7-8(18)5-13-11-14-6-9(12)10(15-11)17(3)4/h6,8,18H,5,7H2,1-4H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol?
(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 257.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 125441184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).