3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol

C10H16F2N4O — CID 114094119

IUPAC3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
SMILESCCNc1nc(C)cc(NCC(O)C(F)F)n1
InChIInChI=1S/C10H16F2N4O/c1-3-13-10-15-6(2)4-8(16-10)14-5-7(17)9(11)12/h4,7,9,17H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyZINPZAPJMMAWLN-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.25
Rot. Bonds6

About 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol (PubChem CID 114094119) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
PubChem CID114094119
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
SMILESCCNc1nc(C)cc(NCC(O)C(F)F)n1
InChIInChI=1S/C10H16F2N4O/c1-3-13-10-15-6(2)4-8(16-10)14-5-7(17)9(11)12/h4,7,9,17H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyZINPZAPJMMAWLN-UHFFFAOYSA-N
XLogP1.25
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-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

Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 103858194
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159611
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80855581
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol (CID 114094119) is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol is CCNc1nc(C)cc(NCC(O)C(F)F)n1.
What is the InChIKey of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
The InChIKey is ZINPZAPJMMAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-3-13-10-15-6(2)4-8(16-10)14-5-7(17)9(11)12/h4,7,9,17H,3,5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol has a molecular weight of 246.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 114094119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).