3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol

C13H22F2N4O — CID 106179265

IUPAC3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCCNc1nc(CC)nc(NCC(F)(F)CO)c1C
InChIInChI=1S/C13H22F2N4O/c1-4-6-16-11-9(3)12(19-10(5-2)18-11)17-7-13(14,15)8-20/h20H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyYCOYBOGPSBKTJQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.21
Rot. Bonds8

About 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol

3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106179265) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID106179265
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESCCCNc1nc(CC)nc(NCC(F)(F)CO)c1C
InChIInChI=1S/C13H22F2N4O/c1-4-6-16-11-9(3)12(19-10(5-2)18-11)17-7-13(14,15)8-20/h20H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyYCOYBOGPSBKTJQ-UHFFFAOYSA-N
XLogP2.21
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219432
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol (CID 106179265) is 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is CCCNc1nc(CC)nc(NCC(F)(F)CO)c1C.
What is the InChIKey of 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is YCOYBOGPSBKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-4-6-16-11-9(3)12(19-10(5-2)18-11)17-7-13(14,15)8-20/h20H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 288.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).