1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

C12H21FN4O — CID 80842696

IUPAC1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCCCNc1ncc(F)c(NCC(C)(O)CC)n1
InChIInChI=1S/C12H21FN4O/c1-4-6-14-11-15-7-9(13)10(17-11)16-8-12(3,18)5-2/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyYBJOBSDSTKLMRS-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.01
Rot. Bonds7

About 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (PubChem CID 80842696) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
PubChem CID80842696
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCCCNc1ncc(F)c(NCC(C)(O)CC)n1
InChIInChI=1S/C12H21FN4O/c1-4-6-14-11-15-7-9(13)10(17-11)16-8-12(3,18)5-2/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyYBJOBSDSTKLMRS-UHFFFAOYSA-N
XLogP2.01
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106258036
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (CID 80842696) is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is CCCNc1ncc(F)c(NCC(C)(O)CC)n1.
What is the InChIKey of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The InChIKey is YBJOBSDSTKLMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-4-6-14-11-15-7-9(13)10(17-11)16-8-12(3,18)5-2/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol has a molecular weight of 256.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 80842696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).