1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol

C11H18F2N4O — CID 114094094

IUPAC1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol
SMILESCCCc1c(NC)ncnc1NCC(O)C(F)F
InChIInChI=1S/C11H18F2N4O/c1-3-4-7-10(14-2)16-6-17-11(7)15-5-8(18)9(12)13/h6,8-9,18H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyOACYMMTWPYAJOD-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.51
Rot. Bonds7

About 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol

1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol (PubChem CID 114094094) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol
PubChem CID114094094
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol
SMILESCCCc1c(NC)ncnc1NCC(O)C(F)F
InChIInChI=1S/C11H18F2N4O/c1-3-4-7-10(14-2)16-6-17-11(7)15-5-8(18)9(12)13/h6,8-9,18H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyOACYMMTWPYAJOD-UHFFFAOYSA-N
XLogP1.51
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80762442
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
N-tert-butyl-2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]acetamide
CID 115357399
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol (CID 114094094) is 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol is CCCc1c(NC)ncnc1NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is OACYMMTWPYAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-3-4-7-10(14-2)16-6-17-11(7)15-5-8(18)9(12)13/h6,8-9,18H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol?
1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 260.29 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 114094094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).