3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol

C10H16F2N4O2 — CID 114094101

IUPAC3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
SMILESCCNc1ncnc(NCC(O)C(F)F)c1OC
InChIInChI=1S/C10H16F2N4O2/c1-3-13-9-7(18-2)10(16-5-15-9)14-4-6(17)8(11)12/h5-6,8,17H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyUXBUVAWRWVJTAM-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.95
Rot. Bonds7

About 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol

3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol (PubChem CID 114094101) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
PubChem CID114094101
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
SMILESCCNc1ncnc(NCC(O)C(F)F)c1OC
InChIInChI=1S/C10H16F2N4O2/c1-3-13-9-7(18-2)10(16-5-15-9)14-4-6(17)8(11)12/h5-6,8,17H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyUXBUVAWRWVJTAM-UHFFFAOYSA-N
XLogP0.95
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(ethylamino)-5-methoxypyrimidin-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

1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol
CID 114094094
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723635
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179516
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol (CID 114094101) is 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol is CCNc1ncnc(NCC(O)C(F)F)c1OC.
What is the InChIKey of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
The InChIKey is UXBUVAWRWVJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-3-13-9-7(18-2)10(16-5-15-9)14-4-6(17)8(11)12/h5-6,8,17H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol?
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol has a molecular weight of 262.26 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 114094101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).