5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine

C11H18FN5 — CID 143924821

IUPAC5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESC=C(F)C(NC)c1c(N)ncnc1NC(C)C
InChIInChI=1S/C11H18FN5/c1-6(2)17-11-8(9(14-4)7(3)12)10(13)15-5-16-11/h5-6,9,14H,3H2,1-2,4H3,(H3,13,15,16,17)
InChIKeyWKAYOKMNTHCERS-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.62
Rot. Bonds5

About 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine

5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 143924821) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID143924821
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESC=C(F)C(NC)c1c(N)ncnc1NC(C)C
InChIInChI=1S/C11H18FN5/c1-6(2)17-11-8(9(14-4)7(3)12)10(13)15-5-16-11/h5-6,9,14H,3H2,1-2,4H3,(H3,13,15,16,17)
InChIKeyWKAYOKMNTHCERS-UHFFFAOYSA-N
XLogP1.62
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-methylpyrimidin-4-amine
CID 45080324
1-(Pyrimidin-5-yl)ethanamine
CID 18914288
N'-[1-(2-fluoropyrimidin-5-yl)ethyl]ethane-1,2-diamine
CID 21697978
N-(5-ethyl-2-methylpyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 23521480
4-N-[(2R)-3,3-dimethylbutan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 58008637
4-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 58008706
4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 58009090
1-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine
CID 59107715
(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 66661534
(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine dihydrochloride
CID 66690185
1-[2-(Trifluoromethyl)pyrimidin-5-yl]ethan-1-amine
CID 66697812
4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine
CID 67950741

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 143924821) is 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine is C=C(F)C(NC)c1c(N)ncnc1NC(C)C.
What is the InChIKey of 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WKAYOKMNTHCERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-6(2)17-11-8(9(14-4)7(3)12)10(13)15-5-16-11/h5-6,9,14H,3H2,1-2,4H3,(H3,13,15,16,17).
What are the key properties of 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine?
5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 239.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 143924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).